*HEADER    RNA                                     05-APR-01   1IE1              
*TITLE     NMR SOLUTION STRUCTURE OF AN IN VITRO SELECTED RNA WHICH IS           
*TITLE    2 SEQUENCE SPECIFICALLY RECOGNIZED BY HAMSTER NUCLEOLIN                
*TITLE    3 RBD12.                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-                                                        
*COMPND   3 R(*GP*GP*CP*CP*GP*AP*AP*AP*UP*CP*CP*CP*GP*AP*AP*GP*UP*AP*GP          
*COMPND   4 *GP*CP*C)-3';                                                        
*COMPND   5 CHAIN: A;                                                            
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 OTHER_DETAILS: IN VITRO SELECTED RNA APATAMER TO HAMSTER             
*COMPND   8 NUCLEOLIN.                                                           
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: MADE BY IN VITRO TRANSCRIPTION USING                  
*SOURCE   4 MILLIGAN TEMPLATES.                                                  
*KEYWDS    EUCARYOTIC LOOP E MOTIF A-FORM HELIX FLEXIBLE LOOP                    
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    P.BOUVET, F.H-T.ALLAIN, L.D.FINGER, T.DIECKMANN, J.FEIGON             
*REVDAT   1   20-JUN-01 1IE1    0                                                
!RNA only
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assi ( resid 1 and name H8  ) ( resid 2 and name H8  ) 5.00 5.00 0.00
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assi ( resid 1 and name H2'  ) ( resid 2 and name H8  ) 3.00 3.00 0.00 !728
assi ( resid 1 and name H3'  ) ( resid 2 and name H8  ) 4.00 4.00 0.00
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assi ( resid 2 and name H1'  ) ( resid 3 and name H5  ) 5.50 5.50 0.00
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assi ( resid 2 and name H1'  ) ( resid 3 and name H1'  ) 5.50 5.50 0.00
assi ( resid 2 and name H2'  ) ( resid 2 and name H8  ) 4.00 4.00 0.00
assi ( resid 2 and name H2'  ) ( resid 3 and name H6  ) 3.00 3.00 0.00
assi ( resid 2 and name H2'  ) ( resid 3 and name H5  ) 5.00 5.00 0.00
assi ( resid 2 and name H3'  ) ( resid 2 and name H8  ) 4.00 4.00 0.00
assi ( resid 2 and name H3'  ) ( resid 3 and name H6  ) 4.00 4.00 0.00
assi ( resid 2 and name H3'  ) ( resid 3 and name H5  ) 5.00 5.00 0.00
assi ( resid 2 and name H4'  ) ( resid 2 and name H8  ) 5.00 5.00 0.00
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assi ( resid 2 and name H8   ) ( resid 3 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 3 and name H6   ) ( resid 4 and name H6  ) 5.50 5.50 0.00 !728
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assi ( resid 3 and name H1'  ) ( resid 3 and name H6  ) 4.00 4.00 0.00
assi ( resid 3 and name H1'  ) ( resid 4 and name H6  ) 5.00 5.00 0.00
assi ( resid 3 and name H2'  ) ( resid 3 and name H1'  ) 3.00 3.00 0.00
assi ( resid 3 and name H2'  ) ( resid 3 and name H6  ) 4.00 4.00 0.00
assi ( resid 3 and name H2'  ) ( resid 3 and name H5  ) 5.00 5.00 0.00
assi ( resid 3 and name H2'  ) ( resid 4 and name H6  ) 3.00 3.00 0.00
assi ( resid 3 and name H2'  ) ( resid 4 and name H5  ) 5.00 5.00 0.00
assi ( resid 3 and name H3'  ) ( resid 3 and name H6  ) 4.00 4.00 0.00
assi ( resid 3 and name H3'  ) ( resid 4 and name H6  ) 5.00 5.00 0.00
assi ( resid 3 and name H3'  ) ( resid 4 and name H5  ) 5.00 5.00 0.00
assi ( resid 3 and name H5'*  ) ( resid 3 and name H6  ) 5.00 5.00 0.00 !728
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assi ( resid 4 and name H1'  ) ( resid 5 and name H2'  ) 5.50 5.50 0.00
assi ( resid 4 and name H2'  ) ( resid 4 and name H6  ) 5.00 5.00 0.00
assi ( resid 4 and name H2'  ) ( resid 4 and name H5  ) 5.00 5.00 0.00
assi ( resid 4 and name H2'  ) ( resid 5 and name H8  ) 4.00 4.00 0.00
assi ( resid 4 and name H3'  ) ( resid 4 and name H6  ) 4.00 4.00 0.00
assi ( resid 4 and name H3'  ) ( resid 4 and name H5  ) 5.00 5.00 0.00
assi ( resid 4 and name H3'  ) ( resid 5 and name H8  ) 4.00 4.00 0.00
assi ( resid 4 and name H4'  ) ( resid 4 and name H6  ) 5.50 5.50 0.00
assi ( resid 4 and name H5'*  ) ( resid 4 and name H6  ) 5.00 5.00 0.00 !728
!assi ( resid 5 and name H8  ) ( resid 6 and name H8  ) 7.00 7.00 0.00 !217
assi ( resid 5 and name H1'  ) ( resid 5 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 5 and name H1'  ) ( resid 6 and name H8  ) 5.00 5.00 0.00 
assi ( resid 5 and name H1'  ) ( resid 6 and name H1'  ) 5.50 5.50 0.00
assi ( resid 5 and name H1'  ) ( resid 18 and name H2  ) 6.00 6.00 0.00
assi ( resid 5 and name H2'  ) ( resid 5 and name H8  ) 4.00 4.00 0.00
assi ( resid 5 and name H2'  ) ( resid 6 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 5 and name H3'  ) ( resid 5 and name H8  ) 3.00 3.00 0.00 !728
assi ( resid 5 and name H4'  ) ( resid 5 and name H8  ) 5.00 5.00 0.00
assi ( resid 5 and name H5'*  ) ( resid 5 and name H8  ) 5.00 5.00 0.00
assi ( resid 6 and name H2  ) ( resid 6 and name H1'  ) 5.00 5.00 0.00
assi ( resid 6 and name H2  ) ( resid 6 and name H2'  ) 5.00 5.00 0.00
assi ( resid 6 and name H2  ) ( resid 7 and name H2  ) 5.00 5.00 0.00 !728
assi ( resid 6 and name H2  ) ( resid 7 and name H8  ) 5.50 5.50 0.00 !217
assi ( resid 6 and name H2  ) ( resid 7 and name H1'  ) 3.00 3.00 0.00 !504
assi ( resid 6 and name H2  ) ( resid 7 and name H2'  ) 5.00 5.00 0.00 !504
assi ( resid 6 and name H2  ) ( resid 18 and name H2  ) 4.50 4.50 0.00
assi ( resid 6 and name H2  ) ( resid 18 and name H1'  ) 5.00 5.00 0.00
assi ( resid 6 and name H8  ) ( resid 7 and name H8  ) 5.00 5.00 0.00
assi ( resid 6 and name H8  ) ( resid 15 and name H2  ) 5.50 5.50 0.00
assi ( resid 6 and name H8  ) ( resid 18 and name H2  ) 6.00 6.00 0.00
assi ( resid 6 and name H1'  ) ( resid 6 and name H8  ) 5.00 5.00 0.00
assi ( resid 6 and name H1'  ) ( resid 7 and name H8  ) 5.00 5.00 0.00 
assi ( resid 6 and name H1'  ) ( resid 7 and name H1'  ) 5.50 5.50 0.00
assi ( resid 6 and name H1'  ) ( resid 18 and name H2  ) 4.00 4.00 0.00 !728
assi ( resid 6 and name H2'  ) ( resid 6 and name H8  ) 5.00 5.00 0.00
assi ( resid 6 and name H2'  ) ( resid 7 and name H8  ) 3.00 3.00 0.00 !504
assi ( resid 6 and name H2'  ) ( resid 7 and name H1'  ) 4.00 4.00 0.00 !728
assi ( resid 6 and name H2'  ) ( resid 18 and name H2  ) 6.00 6.00 0.00
assi ( resid 6 and name H3'  ) ( resid 6 and name H8  ) 5.00 5.00 0.00 !217
assi ( resid 6 and name H3'  ) ( resid 7 and name H8  ) 4.00 4.00 0.00 !504
assi ( resid 6 and name H4'  ) ( resid 6 and name H8  ) 5.00 5.00 0.00
assi ( resid 6 and name H4'  ) ( resid 7 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 6 and name H5'*  ) ( resid 6 and name H8  ) 3.50 3.50 0.00 !728
assi ( resid 6 and name H5'*  ) ( resid 15 and name H2  ) 6.00 6.00 0.00 !728
assi ( resid 7 and name H2  ) ( resid 8 and name H2  ) 5.00 5.00 0.00 !728
!assi ( resid 7 and name H2  ) ( resid 8 and name H8  ) 5.50 5.50 0.00 !728
assi ( resid 7 and name H2  ) ( resid 8 and name H1'  ) 4.50 4.50 0.00 !728
assi ( resid 7 and name H2  ) ( resid 8 and name H2'  ) 6.00 6.00 0.00 !728
assi ( resid 7 and name H2  ) ( resid 8 and name H4'  ) 6.00 6.00 0.00 !728
assi ( resid 7 and name H8  ) ( resid 8 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 7 and name H2  ) ( resid 18 and name H1'  ) 6.00 6.00 0.00 !728
assi ( resid 7 and name H1'  ) ( resid 7 and name H2  ) 5.00 5.00 0.00
assi ( resid 7 and name H1'  ) ( resid 7 and name H8  ) 4.00 4.00 0.00
assi ( resid 7 and name H1'  ) ( resid 8 and name H8  ) 5.00 5.00 0.00
!assi ( resid 7 and name H1'  ) ( resid 8 and name H1'  ) 5.50 5.50 0.00 !728
!assi ( resid 7 and name H1'  ) ( resid 15 and name H2  ) 5.50 5.50 0.00
assi ( resid 7 and name H2'  ) ( resid 7 and name H2  ) 6.00 6.00 0.00 !728
assi ( resid 7 and name H2'  ) ( resid 7 and name H8  ) 4.00 4.00 0.00 !504
assi ( resid 7 and name H2'  ) ( resid 8 and name H8  ) 3.50 3.50 0.00
assi ( resid 7 and name H3'  ) ( resid 7 and name H8  ) 4.00 4.00 0.00 !504
assi ( resid 7 and name H3'  ) ( resid 8 and name H8  ) 3.50 3.50 0.00
assi ( resid 7 and name H4'  ) ( resid 7 and name H8  ) 5.00 5.00 0.00
assi ( resid 7 and name H5'*  ) ( resid 7 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H2  ) ( resid 9 and name H1'  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H2  ) ( resid 10 and name H1'  ) 6.00 6.00 0.00 !728
assi ( resid 8 and name H2  ) ( resid 13 and name H1'  ) 6.00 6.00 0.00 !728
!assi ( resid 8 and name H2  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H2  ) ( resid 14 and name H1'  ) 5.00 5.00 0.00 !728
!assi ( resid 8 and name H2  ) ( resid 14 and name H4'  ) 5.50 5.50 0.00 !728
!assi ( resid 8 and name H2  ) ( resid 15 and name H8  ) 5.50 5.50 0.00 !728
assi ( resid 8 and name H8  ) ( resid 9 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H8  ) ( resid 9 and name H5  ) 5.00 5.00 0.00 !728
!assi ( resid 8 and name H8  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H1'  ) ( resid 8 and name H2  ) 5.00 5.00 0.00
assi ( resid 8 and name H1'  ) ( resid 8 and name H8  ) 4.00 4.00 0.00
assi ( resid 8 and name H1'  ) ( resid 9 and name H6  ) 5.00 5.00 0.00
assi ( resid 8 and name H1'  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
!assi ( resid 8 and name H2'  ) ( resid 8 and name H2  ) 5.00 5.00 0.00 !728
!assi ( resid 8 and name H2'  ) ( resid 14 and name H2  ) 3.00 3.00 0.00 !728
assi ( resid 8 and name H2'  ) ( resid 8 and name H8  ) 3.00 3.00 0.00
assi ( resid 8 and name H2'  ) ( resid 9 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H2'  ) ( resid 9 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H3'  ) ( resid 8 and name H8  ) 3.50 3.50 0.00 !504
assi ( resid 8 and name H3'  ) ( resid 9 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H3'  ) ( resid 9 and name H5  ) 5.00 5.00 0.00 !728
!assi ( resid 8 and name H3'  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H4'  ) ( resid 8 and name H8  ) 5.00 5.00 0.00
assi ( resid 8 and name H5'*  ) ( resid 8 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H6  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H6  ) ( resid 10 and name H6  ) 5.00 5.00 0.00 !728
!assi ( resid 9 and name H5  ) ( resid 10 and name H6  ) 6.00 6.00 0.00 !728
assi ( resid 9 and name H5  ) ( resid 14 and name H2  ) 7.00 7.00 0.00 !728
assi ( resid 9 and name H1'  ) ( resid 9 and name H5  ) 5.50 5.50 0.00 !728
assi ( resid 9 and name H1'  ) ( resid 9 and name H6  ) 3.50 3.50 0.00 !728
!assi ( resid 9 and name H1'  ) ( resid 10 and name H1'  ) 6.00 6.00 0.00 !407
!assi ( resid 9 and name H1'  ) ( resid 10 and name H4'  ) 5.00 5.00 0.00 !407
!assi ( resid 9 and name H1'  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H1'  ) ( resid 10 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H1'  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H2'  ) ( resid 9 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H2'  ) ( resid 9 and name H6  ) 3.00 3.00 0.00 !728
!assi ( resid 9 and name H2'  ) ( resid 10 and name H5  ) 4.00 4.00 0.00 !728
!assi ( resid 9 and name H2'  ) ( resid 10 and name H6  ) 3.00 3.00 0.00 !728
assi ( resid 9 and name H3'  ) ( resid 9 and name H6  ) 4.00 4.00 0.00 !504
assi ( resid 9 and name H3'  ) ( resid 9 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H3'  ) ( resid 10 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 9 and name H3'  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H4'  ) ( resid 9 and name H6  ) 5.00 5.00 0.00
!assi ( resid 9 and name H4'  ) ( resid 9 and name H5  ) 5.00 5.00 0.00 !728
!assi ( resid 9 and name H4'  ) ( resid 10 and name H5  ) 5.50 5.50 0.00 !217
!assi ( resid 9 and name H5'  ) ( resid 10 and name H5  ) 5.50 5.50 0.00 !217
assi ( resid 9 and name H5'*  ) ( resid 9 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H5'*  ) ( resid 9 and name H5  ) 6.00 6.00 0.00 !728
!assi ( resid 9 and name H5''  ) ( resid 10 and name H5  ) 5.50 5.50 0.00 !217
!assi ( resid 10 and name H5  ) ( resid 11 and name H5  ) 4.00 4.00 0.00 !728
assi ( resid 10 and name H5  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
!assi ( resid 10 and name H6  ) ( resid 11 and name H5  ) 4.00 4.00 0.00 !728over
!assi ( resid 10 and name H1'  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 10 and name H1'  ) ( resid 10 and name H6  ) 3.50 3.50 0.00 !728
!assi ( resid 10 and name H1'  ) ( resid 11 and name H5  ) 7.00 3.50 0.00 !728
assi ( resid 10 and name H1'  ) ( resid 11 and name H6  ) 5.00 5.00 0.00 !728 
!assi ( resid 10 and name H1'  ) ( resid 11 and name H1'  ) 7.00 7.00 0.00 !728 
assi ( resid 10 and name H2'  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 10 and name H2'  ) ( resid 10 and name H6  ) 4.00 4.00 0.00 !728
!assi ( resid 10 and name H2'  ) ( resid 11 and name H2'  ) 5.00 5.00 0.00 !225
!assi ( resid 10 and name H2'  ) ( resid 11 and name H3'  ) 5.00 5.00 0.00 !225
assi ( resid 10 and name H2'  ) ( resid 11 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 10 and name H2'  ) ( resid 11 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 10 and name H3'  ) ( resid 10 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 10 and name H3'  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 10 and name H3'  ) ( resid 11 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 10 and name H3'  ) ( resid 11 and name H5  ) 5.00 5.00 0.00 !728 
!assi ( resid 10 and name H4'  ) ( resid 10 and name H5  ) 5.50 5.50 0.00 !217
assi ( resid 10 and name H5'*  ) ( resid 10 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 10 and name H5'*  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H6  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728 
assi ( resid 11 and name H5  ) ( resid 12 and name H6  ) 6.00 6.00 0.00 !728 
assi ( resid 11 and name H6  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728 
assi ( resid 11 and name H6  ) ( resid 13 and name H1'  ) 7.00 7.00 0.00 !728 
assi ( resid 11 and name H5  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728 
assi ( resid 11 and name H1'  ) ( resid 11 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H1'  ) ( resid 11 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H1'  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728 
assi ( resid 11 and name H1'  ) ( resid 12 and name H5  ) 5.00 5.00 0.00 !728 
assi ( resid 11 and name H1'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728 
!assi ( resid 11 and name H2'  ) ( resid 11 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H2'  ) ( resid 11 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 11 and name H2'  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H2'  ) ( resid 12 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H2'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H3'  ) ( resid 11 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 11 and name H3'  ) ( resid 11 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H3'  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H3'  ) ( resid 12 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H3'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
!assi ( resid 11 and name H4'  ) ( resid 12 and name H6  ) 7.00 7.00 0.00 !728
assi ( resid 11 and name H5'*  ) ( resid 11 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H5'*  ) ( resid 12 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H1'  ) ( resid 12 and name H5'*  ) 6.00 6.00 0.00 !728 
assi ( resid 12 and name H1'  ) ( resid 12 and name H5  ) 6.00 6.00 0.00 !728
assi ( resid 12 and name H1'  ) ( resid 12 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 12 and name H1'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
!assi ( resid 12 and name H1'  ) ( resid 13 and name H3'  ) 5.50 5.50 0.00 !223
!assi ( resid 12 and name H1'  ) ( resid 13 and name H4'  ) 5.50 5.50 0.00 !223
assi ( resid 12 and name H1'  ) ( resid 13 and name H5'*  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H2'  ) ( resid 12 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H2'  ) ( resid 12 and name H6  ) 3.50 3.50 0.00 !728
assi ( resid 12 and name H2'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H3'  ) ( resid 12 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H3'  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H3'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H4'  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728
!assi ( resid 12 and name H4'  ) ( resid 13 and name H1'  ) 7.00 7.00 0.00 !219
!assi ( resid 12 and name H4'  ) ( resid 13 and name H2'  ) 6.00 6.00 0.00 !219
!assi ( resid 12 and name H4'  ) ( resid 13 and name H3'  ) 6.00 6.00 0.00 !219
!assi ( resid 12 and name H4'  ) ( resid 13 and name H4'  ) 5.00 5.00 0.00 !219
assi ( resid 12 and name H5'*  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H5'*  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H5'*  ) ( resid 13 and name H1'  ) 6.00 6.00 0.00 !728
assi ( resid 13 and name H8  ) ( resid 14 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 13 and name H8  ) ( resid 14 and name H2'  ) 7.00 7.00 0.00 !728
assi ( resid 13 and name H1'  ) ( resid 13 and name H8  ) 3.00 3.00 0.00 !728
assi ( resid 13 and name H1'  ) ( resid 14 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 13 and name H1'  ) ( resid 14 and name H2'  ) 7.00 7.00 0.00 !728
assi ( resid 13 and name H2'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 13 and name H2'  ) ( resid 14 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 13 and name H3'  ) ( resid 13 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 13 and name H3'  ) ( resid 14 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 13 and name H5'*  ) ( resid 14 and name H8  ) 6.00 6.00 0.00 !728
!assi ( resid 14 and name H8  ) ( resid 15 and name H8  ) 6.00 6.00 0.00 !728 over
assi ( resid 14 and name H2  ) ( resid 15 and name H8  ) 6.00 6.00 0.00 !728
assi ( resid 14 and name H1'  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
!assi ( resid 14 and name H1'  ) ( resid 15 and name H2  ) 5.50 5.50 0.00
assi ( resid 14 and name H1'  ) ( resid 14 and name H8  ) 4.00 4.00 0.00 !401
assi ( resid 14 and name H1'  ) ( resid 15 and name H8  ) 5.00 5.00 0.00 !401
assi ( resid 14 and name H2'  ) ( resid 14 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 14 and name H2'  ) ( resid 15 and name H8  ) 4.00 4.00 0.00 !728
!assi ( resid 14 and name H2'  ) ( resid 15 and name H3'  ) 5.00 5.00 0.00 !505
assi ( resid 14 and name H3'  ) ( resid 14 and name H8  ) 4.00 4.00 0.00 !505
assi ( resid 14 and name H3'  ) ( resid 15 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 14 and name H3'  ) ( resid 15 and name H1'  ) 6.00 6.00 0.00 !728
assi ( resid 14 and name H4'  ) ( resid 14 and name H8  ) 5.00 5.00 0.00
assi ( resid 14 and name H5'*  ) ( resid 14 and name H8  ) 5.00 5.00 0.00 !728
!assi ( resid 15 and name H2  ) ( resid 16 and name H1'  ) 6.00 6.00 0.00 !728
!assi ( resid 15 and name H2  ) ( resid 16 and name H2'  ) 5.50 5.50 0.00
assi ( resid 15 and name H2  ) ( resid 17 and name H5  ) 5.50 5.50 0.00 !728
!assi ( resid 15 and name H2  ) ( resid 17 and name H6  ) 6.00 6.00 0.00 !728
!assi ( resid 15 and name H8  ) ( resid 16 and name H1'  ) 6.50 6.50 0.00 !505
assi ( resid 15 and name H8  ) ( resid 17 and name H5  ) 6.00 6.00 0.00 !428
assi ( resid 15 and name H8  ) ( resid 17 and name H1'  ) 3.00 3.00 0.00 !505 short
assi ( resid 15 and name H8  ) ( resid 17 and name H2'  ) 5.00 5.00 0.00 !505 
assi ( resid 15 and name H1'  ) ( resid 15 and name H8  ) 4.00 4.00 0.00 !402
assi ( resid 15 and name H1'  ) ( resid 15 and name H2  ) 5.00 5.00 0.00 !405
assi ( resid 15 and name H1'  ) ( resid 16 and name H1'  ) 5.00 5.00 0.00 !728
assi ( resid 15 and name H1'  ) ( resid 16 and name H4'  ) 3.00 3.00 0.00 !505
assi ( resid 15 and name H1'  ) ( resid 16 and name H5'*  ) 6.00 6.00 0.00 !728
assi ( resid 15 and name H1'  ) ( resid 17 and name H5  ) 3.50 3.50 0.00  !505
assi ( resid 15 and name H1'  ) ( resid 17 and name H6  ) 3.50 3.50 0.00 !406
assi ( resid 15 and name H1'  ) ( resid 17 and name H1'  ) 5.00 5.00 0.00 !505
assi ( resid 15 and name H2'  ) ( resid 15 and name H2  ) 7.00 7.00 0.00 !728
assi ( resid 15 and name H2'  ) ( resid 15 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 15 and name H3'  ) ( resid 15 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 15 and name H4'  ) ( resid 15 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 15 and name H4'  ) ( resid 17 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 15 and name H4'  ) ( resid 17 and name H1'  ) 4.00 4.00 0.00 !728
assi ( resid 15 and name H5'*  ) ( resid 15 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 15 and name H5'*  ) ( resid 17 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 15 and name H5'*  ) ( resid 17 and name H1'  ) 3.00 3.00 0.00 !728
assi ( resid 16 and name H8  ) ( resid 17 and name H5  ) 6.00 6.00 0.00
assi ( resid 16 and name H1'  ) ( resid 16 and name H8  ) 4.00 4.00 0.00 !405
!assi ( resid 16 and name H1'  ) ( resid 17 and name H5  ) 2.50 2.50 0.00 !728
assi ( resid 16 and name H1'  ) ( resid 17 and name H6  ) 3.50 3.50 0.00 !405
!assi ( resid 16 and name H1'  ) ( resid 17 and name H1'  ) 6.50 6.50 0.00
assi ( resid 16 and name H2'  ) ( resid 16 and name H8  ) 3.50 3.50 0.00
!assi ( resid 16 and name H2'  ) ( resid 17 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 16 and name H3'  ) ( resid 16 and name H8  ) 5.00 5.00 0.00
assi ( resid 16 and name H3'  ) ( resid 17 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 16 and name H4'  ) ( resid 16 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 16 and name H4'  ) ( resid 17 and name H6  ) 3.50 3.50 0.00 !406
assi ( resid 16 and name H4'  ) ( resid 17 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 16 and name H5'*  ) ( resid 16 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 17 and name H1'  ) ( resid 17 and name H5  ) 5.50 5.50 0.00 !220
assi ( resid 17 and name H1'  ) ( resid 17 and name H6  ) 4.00 4.00 0.00 !508
assi ( resid 17 and name H1'  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !406
assi ( resid 17 and name H2'  ) ( resid 17 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 17 and name H2'  ) ( resid 18 and name H8  ) 3.00 3.00 0.00 !728
assi ( resid 17 and name H3'  ) ( resid 17 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 17 and name H3'  ) ( resid 18 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 17 and name H4'  ) ( resid 17 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 17 and name H5'*  ) ( resid 17 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 17 and name H6  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 18 and name H2  ) ( resid 19 and name H1'  ) 4.00 4.00 0.00 !728
assi ( resid 18 and name H2  ) ( resid 19 and name H4'  ) 5.00 5.00 0.00 !406
!assi ( resid 18 and name H2  ) ( resid 19 and name H3'  ) 6.00 6.00 0.00 !406
assi ( resid 18 and name H8  ) ( resid 19 and name H8  ) 5.00 5.00 0.00 !406
assi ( resid 18 and name H1'  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !406
assi ( resid 18 and name H1'  ) ( resid 18 and name H2  ) 5.50 5.50 0.00
assi ( resid 18 and name H1'  ) ( resid 19 and name H8  ) 5.00 5.00 0.00 !407
assi ( resid 18 and name H2'  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !505
assi ( resid 18 and name H2'  ) ( resid 18 and name H2  ) 6.00 6.00 0.00 !505
assi ( resid 18 and name H2'  ) ( resid 19 and name H8  ) 3.50 3.50 0.00
assi ( resid 18 and name H3'  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 18 and name H3'  ) ( resid 19 and name H8  ) 3.50 3.50 0.00
assi ( resid 18 and name H4'  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 18 and name H4'  ) ( resid 19 and name H8  ) 5.50 5.50 0.00
assi ( resid 18 and name H5'*  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !406
assi ( resid 19 and name H8  ) ( resid 20 and name H8  ) 5.50 5.50 0.00
assi ( resid 19 and name H1'  ) ( resid 19 and name H8  ) 5.00 5.00 0.00
assi ( resid 19 and name H1'  ) ( resid 20 and name H8  ) 4.00 4.00 0.00
assi ( resid 19 and name H2'  ) ( resid 19 and name H8  ) 5.00 5.00 0.00
assi ( resid 19 and name H2'  ) ( resid 20 and name H8  ) 3.00 3.00 0.00
assi ( resid 19 and name H3'  ) ( resid 19 and name H8  ) 3.50 3.50 0.00
assi ( resid 19 and name H3'  ) ( resid 20 and name H8  ) 3.50 3.50 0.00
assi ( resid 19 and name H4'  ) ( resid 19 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 19 and name H5'*  ) ( resid 19 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 20 and name H8  ) ( resid 21 and name H5  ) 5.00 5.00 0.00 !407
assi ( resid 20 and name H8  ) ( resid 21 and name H6  ) 5.00 5.00 0.00 !407
assi ( resid 20 and name H1'  ) ( resid 20 and name H8  ) 4.00 4.00 0.00 !407
assi ( resid 20 and name H1'  ) ( resid 21 and name H5  ) 5.00 5.00 0.00
assi ( resid 20 and name H1'  ) ( resid 21 and name H6  ) 4.00 4.00 0.00 !407 free
assi ( resid 20 and name H2'  ) ( resid 20 and name H8  ) 5.00 5.00 0.00 !407
assi ( resid 20 and name H2'  ) ( resid 21 and name H6  ) 3.00 3.00 0.00 !407 free
assi ( resid 20 and name H2'  ) ( resid 21 and name H5  ) 5.00 5.00 0.00 !407 free
assi ( resid 20 and name H3'  ) ( resid 20 and name H8  ) 4.00 4.00 0.00 !407
assi ( resid 20 and name H3'  ) ( resid 21 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 20 and name H3'  ) ( resid 21 and name H5  ) 5.00 5.00 0.00 !407 free
assi ( resid 20 and name H4'  ) ( resid 20 and name H8  ) 5.00 5.00 0.00 !407
assi ( resid 20 and name H5'*  ) ( resid 20 and name H8  ) 5.00 5.00 0.00 !407
assi ( resid 21 and name H5  ) ( resid 22 and name H5  ) 5.00 5.00 0.00
assi ( resid 21 and name H1'  ) ( resid 21 and name H6  ) 4.00 4.00 0.00 !407 free
assi ( resid 21 and name H1'  ) ( resid 21 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 21 and name H1'  ) ( resid 22 and name H6  ) 4.00 4.00 0.00 !407 free
assi ( resid 21 and name H1'  ) ( resid 22 and name H5  ) 5.00 5.00 0.00
assi ( resid 21 and name H2'  ) ( resid 21 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 21 and name H2'  ) ( resid 22 and name H6  ) 3.00 3.00 0.00 !407 free
assi ( resid 21 and name H3'  ) ( resid 21 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 21 and name H3'  ) ( resid 22 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 21 and name H4'  ) ( resid 21 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 21 and name H5'*  ) ( resid 21 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 22 and name H1'  ) ( resid 22 and name H6  ) 4.00 4.00 0.00 !407 free
assi ( resid 22 and name H2'  ) ( resid 22 and name H5  ) 6.00 6.00 0.00
assi ( resid 22 and name H2'  ) ( resid 22 and name H6  ) 4.00 4.00 0.00 !407 free
assi ( resid 22 and name H3'  ) ( resid 22 and name H5  ) 6.00 6.00 0.00
assi ( resid 22 and name H3'  ) ( resid 22 and name H6  ) 4.00 4.00 0.00 !407 free
assi ( resid 22 and name H4'  ) ( resid 22 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 22 and name H5'*  ) ( resid 22 and name H6  ) 5.00 5.00 0.00 !407 free

!RNA only NOE from H2O spectrum
assi ( resid 1 and name H1  ) ( resid 2 and name H1  ) 5.00 5.00 0.00 !728
assi ( resid 1 and name H1  ) ( resid 22 and name HN'*  ) 4.00 4.00 0.00 !405
assi ( resid 1 and name H1  ) ( resid 22 and name H5  ) 6.00 6.00 0.00 !405
assi ( resid 2 and name H1  ) ( resid 3 and name H1'  ) 5.00 5.00 0.00 !728
assi ( resid 2 and name H1  ) ( resid 20 and name H1  ) 5.00 5.00 0.00 !728
assi ( resid 2 and name H1  ) ( resid 21 and name HN'*  ) 4.00 4.00 0.00 !405
assi ( resid 2 and name H1  ) ( resid 21 and name H5  ) 6.00 6.00 0.00 !405
assi ( resid 2 and name H1  ) ( resid 22 and name H5  ) 5.00 5.00 0.00 !405
assi ( resid 2 and name H1  ) ( resid 22 and name H1'  ) 5.00 5.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 3 and name HN'*  ) 4.00 4.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 3 and name H5  ) 6.00 6.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 3 and name H2'  ) 6.00 6.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 4 and name H5  ) 5.00 5.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 4 and name H1'  ) 5.00 5.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 21 and name H1'  ) 5.00 5.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 19 and name H1  ) 5.00 5.00 0.00 !728
assi ( resid 19 and name H1  ) ( resid 4 and name HN'*  ) 4.00 4.00 0.00 !405
assi ( resid 19 and name H1  ) ( resid 4 and name H5  ) 6.00 6.00 0.00 !405
assi ( resid 19 and name H1  ) ( resid 4 and name H2'  ) 6.00 6.00 0.00 !405
assi ( resid 19 and name H1  ) ( resid 20 and name H1'  ) 5.00 5.00 0.00 !405
assi ( resid 19 and name H1  ) ( resid 5 and name H1'  ) 5.00 5.00 0.00 !405
assi ( resid 5 and name H1  ) ( resid 16 and name H1'  ) 5.00 5.00 0.00 !405
assi ( resid 5 and name H1  ) ( resid 17 and name H5  ) 5.00 5.00 0.00 !405
assi ( resid 5 and name H1  ) ( resid 17 and name H6  ) 5.00 5.00 0.00 !405
assi ( resid 5 and name H1  ) ( resid 19 and name H1  ) 6.00 6.00 0.00 !405
assi ( resid 16 and name H1  ) ( resid 5 and name H2'  ) 4.00 4.00 0.00 !728
assi ( resid 16 and name H1  ) ( resid 5 and name H3'  ) 4.00 4.00 0.00 !728
assi ( resid 16 and name H1  ) ( resid 5 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 16 and name H1  ) ( resid 15 and name H2  ) 5.00 5.00 0.00 !728
assi ( resid 17 and name H3  ) ( resid 6 and name H8  ) 3.50 3.50 0.00 !728
assi ( resid 17 and name H3  ) ( resid 6 and name HN'*  ) 4.00 4.00 0.00 !405
assi ( resid 17 and name H3  ) ( resid 15 and name H2  ) 6.00 6.00 0.00 !405
assi ( resid 17 and name H3  ) ( resid 15 and name H8  ) 5.00 5.00 0.00 !405
assi ( resid 17 and name H3  ) ( resid 15 and name H5'*  ) 6.00 6.00 0.00 !728
assi ( resid 17 and name H3  ) ( resid 17 and name H2'  ) 6.00 6.00 0.00 !728
assi ( resid 17 and name H3  ) ( resid 18 and name H1'  ) 5.00 5.00 0.00 !405

!Hbond RNA
assi ( resid 1 and name N1  ) ( resid 22 and name N3  ) 3.30 3.30 0.00
assi ( resid 1 and name O6  ) ( resid 22 and name HN''  ) 2.30 2.30 0.00
assi ( resid 1 and name O6  ) ( resid 22 and name N4  ) 3.30 3.30 0.00
assi ( resid 1 and name HN''  ) ( resid 22 and name O2  ) 2.30 2.30 0.00
assi ( resid 1 and name N2  ) ( resid 22 and name O2  ) 3.30 3.30 0.00
assi ( resid 2 and name H1  ) ( resid 21 and name N3  ) 2.30 2.30 0.00
assi ( resid 2 and name N1  ) ( resid 21 and name N3  ) 3.30 3.30 0.00
assi ( resid 2 and name O6  ) ( resid 21 and name HN''  ) 2.30 2.30 0.00
assi ( resid 2 and name O6  ) ( resid 21 and name N4  ) 3.30 3.30 0.00
assi ( resid 2 and name HN''  ) ( resid 21 and name O2  ) 2.30 2.30 0.00
assi ( resid 2 and name N2  ) ( resid 21 and name O2  ) 3.30 3.30 0.00
assi ( resid 3 and name N3  ) ( resid 20 and name H1  ) 2.30 2.30 0.00
assi ( resid 3 and name N3  ) ( resid 20 and name N1  ) 3.30 3.30 0.00
assi ( resid 3 and name HN''  ) ( resid 20 and name O6  ) 2.30 2.30 0.00
assi ( resid 3 and name N4  ) ( resid 20 and name O6  ) 3.30 3.30 0.00
assi ( resid 3 and name O2  ) ( resid 20 and name HN''  ) 2.30 2.30 0.00
assi ( resid 3 and name O2  ) ( resid 20 and name N2  ) 3.30 3.30 0.00
assi ( resid 4 and name N3  ) ( resid 19 and name H1  ) 2.30 2.30 0.00
assi ( resid 4 and name N3  ) ( resid 19 and name N1  ) 3.30 3.30 0.00
assi ( resid 4 and name HN''  ) ( resid 19 and name O6  ) 2.30 2.30 0.00
assi ( resid 4 and name N4  ) ( resid 19 and name O6  ) 3.30 3.30 0.00
assi ( resid 4 and name O2  ) ( resid 19 and name HN''  ) 2.30 2.30 0.00
assi ( resid 4 and name O2  ) ( resid 19 and name N2  ) 3.30 3.30 0.00
assi ( resid 5 and name N3  ) ( resid 18 and name HN'  ) 2.30 2.30 0.00
assi ( resid 5 and name N3  ) ( resid 18 and name N6  ) 3.30 3.30 0.00
assi ( resid 5 and name HN'  ) ( resid 18 and name N7  ) 2.30 2.30 0.00
assi ( resid 5 and name N2  ) ( resid 18 and name N7  ) 3.30 3.30 0.00
assi ( resid 6 and name N7  ) ( resid 17 and name H3  ) 2.30 2.30 0.00
assi ( resid 6 and name N7  ) ( resid 17 and name N3  ) 3.30 3.30 0.00
assi ( resid 6 and name HN'  ) ( resid 17 and name O2  ) 2.30 2.30 0.00
assi ( resid 6 and name N6  ) ( resid 17 and name O2  ) 3.30 3.30 0.00
assi ( resid 16 and name HN'  ) ( resid 17 and name O4  ) 2.30 2.30 0.00
assi ( resid 16 and name N2  ) ( resid 17 and name O4  ) 3.30 3.30 0.00
assi ( resid 7 and name N7  ) ( resid 15 and name HN'  ) 2.30 2.30 0.00
assi ( resid 7 and name N7  ) ( resid 15 and name N6  ) 3.30 3.30 0.00
assi ( resid 7 and name HN'  ) ( resid 15 and name N7  ) 2.30 2.30 0.00
assi ( resid 7 and name N6  ) ( resid 15 and name N7  ) 3.30 3.30 0.00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1 -10.931 -18.147 -10.263
    2   2H5*    G   1          2H5*        G   1 -11.874 -16.855  -9.492
    3    H4*    G   1           H4*        G   1 -10.735 -18.138  -7.773
    4    H3*    G   1           H3*        G   1  -9.859 -15.316  -8.340
    5    H2*    G   1           H2*        G   1  -7.829 -15.551  -7.367
    6   2HO*    G   1          2HO*        G   1  -9.151 -17.040  -5.318
    7    H1*    G   1           H1*        G   1  -8.063 -18.428  -6.737
    8    H8     G   1           H8         G   1  -6.797 -16.821  -9.960
    9    H1     G   1           H1         G   1  -2.172 -18.060  -5.757
   10   1H2     G   1          1H2         G   1  -4.777 -18.969  -3.631
   11   2H2     G   1          2H2         G   1  -3.053 -18.763  -3.848
   12    H5T    G   1           H5T        G   1  -9.629 -16.718 -11.121
   13   1H5*    G   2          1H5*        G   2 -10.880 -16.197  -2.961
   14   2H5*    G   2          2H5*        G   2  -9.778 -15.355  -4.071
   15    H4*    G   2           H4*        G   2  -9.108 -17.436  -1.968
   16    H3*    G   2           H3*        G   2  -8.372 -14.541  -2.518
   17    H2*    G   2           H2*        G   2  -6.206 -14.925  -1.680
   18   2HO*    G   2          2HO*        G   2  -7.040 -17.434  -0.624
   19    H1*    G   2           H1*        G   2  -5.873 -17.527  -2.583
   20    H8     G   2           H8         G   2  -7.182 -15.216  -5.289
   21    H1     G   2           H1         G   2  -0.854 -14.939  -4.512
   22   1H2     G   2          1H2         G   2  -1.443 -16.792  -1.617
   23   2H2     G   2          2H2         G   2  -0.272 -16.005  -2.651
   24   1H5*    C   3          1H5*        C   3  -6.296 -14.182   2.473
   25   2H5*    C   3          2H5*        C   3  -6.305 -12.777   1.392
   26    H4*    C   3           H4*        C   3  -4.196 -14.880   1.790
   27    H3*    C   3           H3*        C   3  -4.377 -11.879   1.616
   28    H2*    C   3           H2*        C   3  -2.611 -11.708   0.152
   29   2HO*    C   3          2HO*        C   3  -1.344 -13.886   1.493
   30    H1*    C   3           H1*        C   3  -2.243 -14.584  -0.329
   31   1H4     C   3          1H4         C   3  -3.300 -11.474  -6.038
   32   2H4     C   3          2H4         C   3  -1.573 -11.325  -5.805
   33    H5     C   3           H5         C   3  -4.785 -12.375  -4.357
   34    H6     C   3           H6         C   3  -4.937 -13.273  -2.104
   35   1H5*    C   4          1H5*        C   4   0.226 -11.875   1.882
   36   2H5*    C   4          2H5*        C   4   0.194 -11.036   3.446
   37    H4*    C   4           H4*        C   4   1.216  -9.414   2.164
   38    H3*    C   4           H3*        C   4  -1.790  -9.075   1.969
   39    H2*    C   4           H2*        C   4  -1.669  -7.705   0.177
   40   2HO*    C   4          2HO*        C   4  -0.161  -6.382   1.805
   41    H1*    C   4           H1*        C   4   1.151  -8.172  -0.484
   42   1H4     C   4          1H4         C   4  -3.262  -9.525  -5.231
   43   2H4     C   4          2H4         C   4  -1.814  -8.931  -6.019
   44    H5     C   4           H5         C   4  -3.449  -9.746  -2.809
   45    H6     C   4           H6         C   4  -2.265  -9.595  -0.707
   46   1H5*    G   5          1H5*        G   5   2.451  -4.892   2.571
   47   2H5*    G   5          2H5*        G   5   0.723  -4.859   2.173
   48    H4*    G   5           H4*        G   5   3.106  -4.908   0.319
   49    H3*    G   5           H3*        G   5   0.594  -3.246   0.695
   50    H2*    G   5           H2*        G   5   0.505  -2.819  -1.618
   51   2HO*    G   5          2HO*        G   5   2.477  -2.179  -2.218
   52    H1*    G   5           H1*        G   5   1.457  -5.271  -2.527
   53    H8     G   5           H8         G   5  -1.254  -5.550   0.124
   54    H1     G   5           H1         G   5  -3.608  -4.547  -5.703
   55   1H2     G   5          1H2         G   5  -0.299  -3.984  -6.619
   56   2H2     G   5          2H2         G   5  -1.977  -4.048  -7.108
   57   1H5*    A   6          1H5*        A   6   3.871   1.260  -1.161
   58   2H5*    A   6          2H5*        A   6   2.862  -0.097  -1.706
   59    H4*    A   6           H4*        A   6   5.595  -0.917  -0.983
   60    H3*    A   6           H3*        A   6   5.164   1.302  -3.000
   61    H2*    A   6           H2*        A   6   6.630   0.242  -4.525
   62   2HO*    A   6          2HO*        A   6   7.572  -1.874  -3.191
   63    H1*    A   6           H1*        A   6   5.879  -2.362  -4.068
   64    H8     A   6           H8         A   6   2.568  -1.071  -4.284
   65   1H6     A   6          1H6         A   6   2.152  -0.020  -8.979
   66   2H6     A   6          2H6         A   6   3.318   0.177 -10.269
   67    H2     A   6           H2         A   6   7.382  -0.475  -8.457
   68   1H5*    A   7          1H5*        A   7   9.464   2.367  -2.109
   69   2H5*    A   7          2H5*        A   7   9.537   4.051  -2.667
   70    H4*    A   7           H4*        A   7  10.453   1.997  -4.149
   71    H3*    A   7           H3*        A   7   9.251   4.658  -4.854
   72    H2*    A   7           H2*        A   7   8.803   4.071  -7.055
   73   2HO*    A   7          2HO*        A   7  10.497   1.928  -7.360
   74    H1*    A   7           H1*        A   7   8.812   1.228  -6.816
   75    H8     A   7           H8         A   7   6.015   2.315  -4.788
   76   1H6     A   7          1H6         A   7   2.584   2.807  -8.155
   77   2H6     A   7          2H6         A   7   2.645   2.973  -9.896
   78    H2     A   7           H2         A   7   6.962   2.815 -11.093
   79   1H5*    A   8          1H5*        A   8  10.611   3.882  -8.680
   80   2H5*    A   8          2H5*        A   8  11.796   5.178  -8.949
   81    H4*    A   8           H4*        A   8  10.108   5.645 -10.516
   82    H3*    A   8           H3*        A   8  10.192   7.317  -8.095
   83    H2*    A   8           H2*        A   8   7.942   7.598  -7.817
   84   2HO*    A   8          2HO*        A   8   6.796   8.446  -9.771
   85    H1*    A   8           H1*        A   8   7.063   6.254 -10.305
   86    H8     A   8           H8         A   8   7.443   5.690  -6.491
   87   1H6     A   8          1H6         A   8   2.793   4.730  -5.527
   88   2H6     A   8          2H6         A   8   1.369   4.605  -6.535
   89    H2     A   8           H2         A   8   2.685   5.447 -10.753
   90   1H5*    U   9          1H5*        U   9   9.248  11.166 -11.039
   91   2H5*    U   9          2H5*        U   9   8.664   9.779 -10.104
   92    H4*    U   9           H4*        U   9   7.119  10.422 -12.570
   93    H3*    U   9           H3*        U   9   7.627  12.499 -10.538
   94    H2*    U   9           H2*        U   9   5.580  12.492  -9.486
   95   2HO*    U   9          2HO*        U   9   3.640  12.257 -10.858
   96    H1*    U   9           H1*        U   9   4.309  10.194 -10.598
   97    H3     U   9           H3         U   9   3.155   9.775  -6.268
   98    H5     U   9           H5         U   9   7.370   9.920  -6.195
   99    H6     U   9           H6         U   9   7.310  10.251  -8.590
  100   1H5*    C  10          1H5*        C  10   3.586  14.736 -12.766
  101   2H5*    C  10          2H5*        C  10   4.500  13.258 -12.398
  102    H4*    C  10           H4*        C  10   3.818  14.196 -15.212
  103    H3*    C  10           H3*        C  10   2.385  12.382 -13.253
  104    H2*    C  10           H2*        C  10   1.996  10.782 -14.912
  105   2HO*    C  10          2HO*        C  10   2.691  12.364 -17.105
  106    H1*    C  10           H1*        C  10   4.265  11.245 -16.504
  107   1H4     C  10          1H4         C  10   5.469   6.416 -12.158
  108   2H4     C  10          2H4         C  10   4.904   5.608 -13.603
  109    H5     C  10           H5         C  10   5.541   8.819 -11.932
  110    H6     C  10           H6         C  10   5.051  10.954 -13.030
  111   1H5*    C  11          1H5*        C  11   0.834  15.744 -11.100
  112   2H5*    C  11          2H5*        C  11   2.572  15.887 -10.793
  113    H4*    C  11           H4*        C  11   2.110  13.176 -10.417
  114    H3*    C  11           H3*        C  11  -0.480  14.383 -10.146
  115    H2*    C  11           H2*        C  11  -0.633  14.900  -7.889
  116   2HO*    C  11          2HO*        C  11   0.973  12.669  -7.188
  117    H1*    C  11           H1*        C  11   1.888  14.682  -6.870
  118   1H4     C  11          1H4         C  11   0.464  20.863  -8.472
  119   2H4     C  11          2H4         C  11   1.757  20.950  -7.296
  120    H5     C  11           H5         C  11  -0.383  18.764  -9.317
  121    H6     C  11           H6         C  11  -0.169  16.378  -9.323
  122   1H5*    C  12          1H5*        C  12  -2.609  13.986  -9.764
  123   2H5*    C  12          2H5*        C  12  -2.275  13.439  -8.110
  124    H4*    C  12           H4*        C  12  -4.772  12.291  -8.964
  125    H3*    C  12           H3*        C  12  -4.396  15.049  -9.957
  126    H2*    C  12           H2*        C  12  -5.806  16.176  -8.523
  127   2HO*    C  12          2HO*        C  12  -7.405  14.069  -7.708
  128    H1*    C  12           H1*        C  12  -6.023  14.517  -6.326
  129   1H4     C  12          1H4         C  12  -1.168  18.971  -5.551
  130   2H4     C  12          2H4         C  12  -2.325  19.233  -4.266
  131    H5     C  12           H5         C  12  -1.468  17.321  -7.278
  132    H6     C  12           H6         C  12  -2.905  15.531  -8.121
  133   1H5*    G  13          1H5*        G  13  -7.769  10.668  -8.202
  134   2H5*    G  13          2H5*        G  13  -7.089  11.257  -6.671
  135    H4*    G  13           H4*        G  13  -5.532   9.990  -8.962
  136    H3*    G  13           H3*        G  13  -6.939   8.815  -6.737
  137    H2*    G  13           H2*        G  13  -5.284   8.458  -5.156
  138   2HO*    G  13          2HO*        G  13  -3.083   7.997  -5.882
  139    H1*    G  13           H1*        G  13  -3.300  10.217  -5.753
  140    H8     G  13           H8         G  13  -4.481  12.988  -5.430
  141    H1     G  13           H1         G  13  -8.462   9.952  -1.486
  142   1H2     G  13          1H2         G  13  -7.381   7.067  -3.115
  143   2H2     G  13          2H2         G  13  -8.411   7.773  -1.889
  144   1H5*    A  14          1H5*        A  14  -4.978   9.004 -11.122
  145   2H5*    A  14          2H5*        A  14  -5.407   7.886 -12.435
  146    H4*    A  14           H4*        A  14  -3.168   7.645 -12.696
  147    H3*    A  14           H3*        A  14  -4.032   5.810 -10.573
  148    H2*    A  14           H2*        A  14  -2.265   6.093  -9.142
  149   2HO*    A  14          2HO*        A  14  -1.175   5.048 -11.394
  150    H1*    A  14           H1*        A  14  -0.636   7.885 -10.805
  151    H8     A  14           H8         A  14  -3.280   9.116  -8.369
  152   1H6     A  14          1H6         A  14  -0.433   9.915  -4.539
  153   2H6     A  14          2H6         A  14   1.248   9.559  -4.207
  154    H2     A  14           H2         A  14   2.877   7.482  -7.849
  155   1H5*    A  15          1H5*        A  15  -3.079   4.168  -9.679
  156   2H5*    A  15          2H5*        A  15  -2.923   2.563 -10.381
  157    H4*    A  15           H4*        A  15  -5.339   2.204  -9.413
  158    H3*    A  15           H3*        A  15  -5.192   4.794  -8.640
  159    H2*    A  15           H2*        A  15  -3.225   4.766  -7.341
  160   2HO*    A  15          2HO*        A  15  -5.204   3.720  -5.562
  161    H1*    A  15           H1*        A  15  -3.624   2.112  -6.091
  162    H8     A  15           H8         A  15  -1.281   3.225  -8.989
  163   1H6     A  15          1H6         A  15   2.882   2.705  -6.582
  164   2H6     A  15          2H6         A  15   3.262   2.387  -4.905
  165    H2     A  15           H2         A  15  -0.643   1.908  -2.749
  166   1H5*    G  16          1H5*        G  16  -9.172   1.375  -5.903
  167   2H5*    G  16          2H5*        G  16  -8.152   2.790  -5.567
  168    H4*    G  16           H4*        G  16  -6.332   1.443  -6.908
  169    H3*    G  16           H3*        G  16  -8.477  -0.479  -6.893
  170    H2*    G  16           H2*        G  16  -7.999  -1.359  -4.765
  171   2HO*    G  16          2HO*        G  16  -7.228  -3.029  -6.074
  172    H1*    G  16           H1*        G  16  -5.106  -0.509  -5.028
  173    H8     G  16           H8         G  16  -8.191  -0.559  -2.691
  174    H1     G  16           H1         G  16  -2.593  -1.434   0.235
  175   1H2     G  16          1H2         G  16  -1.222  -0.990  -2.938
  176   2H2     G  16          2H2         G  16  -0.940  -1.275  -1.235
  177   1H5*    U  17          1H5*        U  17  -5.058  -3.265 -10.642
  178   2H5*    U  17          2H5*        U  17  -4.381  -2.496  -9.193
  179    H4*    U  17           H4*        U  17  -4.245  -1.436 -12.043
  180    H3*    U  17           H3*        U  17  -2.336  -2.920 -10.247
  181    H2*    U  17           H2*        U  17  -0.541  -1.455 -10.738
  182   2HO*    U  17          2HO*        U  17  -0.497  -0.164 -12.540
  183    H1*    U  17           H1*        U  17  -1.840   0.892 -10.678
  184    H3     U  17           H3         U  17   0.900  -0.296  -7.070
  185    H5     U  17           H5         U  17  -3.116  -0.641  -5.875
  186    H6     U  17           H6         U  17  -3.755  -0.390  -8.203
  187   1H5*    A  18          1H5*        A  18  -0.397  -2.427 -13.025
  188   2H5*    A  18          2H5*        A  18   0.216  -3.549 -14.258
  189    H4*    A  18           H4*        A  18   2.181  -2.527 -13.512
  190    H3*    A  18           H3*        A  18   1.674  -5.089 -11.971
  191    H2*    A  18           H2*        A  18   3.585  -4.698 -10.647
  192   2HO*    A  18          2HO*        A  18   4.497  -3.613 -12.937
  193    H1*    A  18           H1*        A  18   3.416  -1.931 -10.495
  194    H8     A  18           H8         A  18   0.038  -3.292  -9.728
  195   1H6     A  18          1H6         A  18   0.594  -4.353  -5.058
  196   2H6     A  18          2H6         A  18   1.992  -4.448  -4.010
  197    H2     A  18           H2         A  18   5.580  -3.490  -6.540
  198   1H5*    G  19          1H5*        G  19   7.393  -5.793 -12.956
  199   2H5*    G  19          2H5*        G  19   6.308  -7.170 -12.684
  200    H4*    G  19           H4*        G  19   7.587  -5.359 -10.737
  201    H3*    G  19           H3*        G  19   6.412  -8.163 -10.765
  202    H2*    G  19           H2*        G  19   6.174  -8.079  -8.435
  203   2HO*    G  19          2HO*        G  19   7.301  -6.378  -7.219
  204    H1*    G  19           H1*        G  19   5.617  -5.355  -8.187
  205    H8     G  19           H8         G  19   3.381  -6.865 -10.787
  206    H1     G  19           H1         G  19   1.306  -7.847  -4.841
  207   1H2     G  19          1H2         G  19   4.480  -6.789  -3.880
  208   2H2     G  19          2H2         G  19   2.911  -7.386  -3.387
  209   1H5*    G  20          1H5*        G  20   8.542  -7.941  -7.570
  210   2H5*    G  20          2H5*        G  20   9.780  -9.202  -7.397
  211    H4*    G  20           H4*        G  20   8.452  -9.362  -5.428
  212    H3*    G  20           H3*        G  20   7.875 -11.438  -7.536
  213    H2*    G  20           H2*        G  20   5.865 -12.002  -6.604
  214   2HO*    G  20          2HO*        G  20   6.671 -11.581  -3.947
  215    H1*    G  20           H1*        G  20   5.871  -9.879  -4.538
  216    H8     G  20           H8         G  20   4.505  -9.279  -8.021
  217    H1     G  20           H1         G  20   0.163 -11.640  -3.988
  218   1H2     G  20          1H2         G  20   2.861 -12.063  -1.824
  219   2H2     G  20          2H2         G  20   1.143 -12.255  -2.096
  220   1H5*    C  21          1H5*        C  21   8.684 -15.419  -3.238
  221   2H5*    C  21          2H5*        C  21   7.839 -15.635  -4.784
  222    H4*    C  21           H4*        C  21   6.700 -14.881  -2.085
  223    H3*    C  21           H3*        C  21   6.365 -17.096  -4.090
  224    H2*    C  21           H2*        C  21   4.084 -16.817  -4.222
  225   2HO*    C  21          2HO*        C  21   2.992 -16.418  -2.032
  226    H1*    C  21           H1*        C  21   3.977 -14.471  -2.407
  227   1H4     C  21          1H4         C  21   0.696 -12.760  -7.777
  228   2H4     C  21          2H4         C  21  -0.525 -13.539  -6.798
  229    H5     C  21           H5         C  21   3.038 -12.729  -7.174
  230    H6     C  21           H6         C  21   4.704 -13.494  -5.593
  231   1H5*    C  22          1H5*        C  22   4.347 -20.513  -0.035
  232   2H5*    C  22          2H5*        C  22   4.065 -20.812  -1.761
  233    H4*    C  22           H4*        C  22   2.170 -20.028   0.350
  234    H3*    C  22           H3*        C  22   2.046 -21.214  -2.442
  235    H2*    C  22           H2*        C  22  -0.243 -20.741  -2.524
  236   2HO*    C  22          2HO*        C  22  -1.159 -21.365  -0.683
  237    H1*    C  22           H1*        C  22  -0.124 -18.313  -1.157
  238   1H4     C  22          1H4         C  22   0.969 -16.921  -7.498
  239   2H4     C  22          2H4         C  22  -0.761 -17.175  -7.415
  240    H5     C  22           H5         C  22   2.458 -17.367  -5.654
  241    H6     C  22           H6         C  22   2.604 -18.133  -3.328
  242    H3T    C  22           H3T        C  22   1.752 -22.036   0.206
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1 -11.815 -20.050  -8.100
    2   2H5*    G   1          2H5*        G   1 -12.267 -18.337  -7.983
    3    H4*    G   1           H4*        G   1 -10.786 -19.411  -6.100
    4    H3*    G   1           H3*        G   1 -10.566 -16.717  -7.420
    5    H2*    G   1           H2*        G   1  -8.372 -16.442  -6.825
    6   2HO*    G   1          2HO*        G   1  -9.588 -16.854  -4.448
    7    H1*    G   1           H1*        G   1  -8.023 -19.113  -5.599
    8    H8     G   1           H8         G   1  -7.529 -18.070  -9.254
    9    H1     G   1           H1         G   1  -2.150 -18.129  -5.833
   10   1H2     G   1          1H2         G   1  -4.249 -18.791  -3.129
   11   2H2     G   1          2H2         G   1  -2.618 -18.515  -3.697
   12    H5T    G   1           H5T        G   1 -10.763 -19.620  -9.843
   13   1H5*    G   2          1H5*        G   2 -10.682 -17.369  -2.965
   14   2H5*    G   2          2H5*        G   2 -11.163 -16.027  -1.908
   15    H4*    G   2           H4*        G   2  -9.168 -17.137  -1.007
   16    H3*    G   2           H3*        G   2  -8.823 -14.336  -2.140
   17    H2*    G   2           H2*        G   2  -6.558 -14.406  -1.544
   18   2HO*    G   2          2HO*        G   2  -7.432 -15.469   0.619
   19    H1*    G   2           H1*        G   2  -6.166 -17.172  -1.861
   20    H8     G   2           H8         G   2  -7.558 -15.532  -4.962
   21    H1     G   2           H1         G   2  -1.231 -14.914  -4.357
   22   1H2     G   2          1H2         G   2  -1.738 -16.098  -1.122
   23   2H2     G   2          2H2         G   2  -0.603 -15.523  -2.323
   24   1H5*    C   3          1H5*        C   3  -6.179 -14.772   1.651
   25   2H5*    C   3          2H5*        C   3  -6.390 -13.133   2.297
   26    H4*    C   3           H4*        C   3  -3.999 -13.946   1.584
   27    H3*    C   3           H3*        C   3  -5.328 -11.283   1.156
   28    H2*    C   3           H2*        C   3  -3.926 -10.724  -0.592
   29   2HO*    C   3          2HO*        C   3  -1.554 -11.762   0.202
   30    H1*    C   3           H1*        C   3  -2.444 -13.313  -0.570
   31   1H4     C   3          1H4         C   3  -4.323 -11.823  -6.739
   32   2H4     C   3          2H4         C   3  -2.601 -11.521  -6.691
   33    H5     C   3           H5         C   3  -5.606 -12.470  -4.796
   34    H6     C   3           H6         C   3  -5.532 -12.814  -2.387
   35   1H5*    C   4          1H5*        C   4  -0.061 -12.117   1.120
   36   2H5*    C   4          2H5*        C   4   0.761 -11.721   2.642
   37    H4*    C   4           H4*        C   4   1.505  -9.823   1.700
   38    H3*    C   4           H3*        C   4  -1.484  -9.301   1.659
   39    H2*    C   4           H2*        C   4  -1.336  -7.776   0.001
   40   2HO*    C   4          2HO*        C   4   1.228  -6.862   0.337
   41    H1*    C   4           H1*        C   4   1.404  -8.383  -0.840
   42   1H4     C   4          1H4         C   4  -3.284  -9.178  -5.461
   43   2H4     C   4          2H4         C   4  -1.822  -8.685  -6.288
   44    H5     C   4           H5         C   4  -3.392  -9.503  -3.053
   45    H6     C   4           H6         C   4  -2.126  -9.522  -0.990
   46   1H5*    G   5          1H5*        G   5   3.155  -5.570   2.403
   47   2H5*    G   5          2H5*        G   5   1.422  -5.315   2.129
   48    H4*    G   5           H4*        G   5   3.676  -5.445   0.129
   49    H3*    G   5           H3*        G   5   1.316  -3.630   0.741
   50    H2*    G   5           H2*        G   5   1.218  -3.002  -1.525
   51   2HO*    G   5          2HO*        G   5   3.727  -2.882  -1.421
   52    H1*    G   5           H1*        G   5   1.964  -5.453  -2.642
   53    H8     G   5           H8         G   5  -0.773  -5.672   0.003
   54    H1     G   5           H1         G   5  -2.993  -4.104  -5.760
   55   1H2     G   5          1H2         G   5   0.368  -3.790  -6.632
   56   2H2     G   5          2H2         G   5  -1.305  -3.677  -7.134
   57   1H5*    A   6          1H5*        A   6   4.089   0.453  -1.501
   58   2H5*    A   6          2H5*        A   6   3.078  -1.002  -1.526
   59    H4*    A   6           H4*        A   6   5.569  -2.111  -1.280
   60    H3*    A   6           H3*        A   6   5.927   0.584  -2.558
   61    H2*    A   6           H2*        A   6   6.896  -0.252  -4.490
   62   2HO*    A   6          2HO*        A   6   8.639  -1.310  -3.808
   63    H1*    A   6           H1*        A   6   5.884  -2.877  -4.507
   64    H8     A   6           H8         A   6   2.762  -1.353  -4.780
   65   1H6     A   6          1H6         A   6   2.812   0.302  -9.328
   66   2H6     A   6          2H6         A   6   4.105   0.655 -10.451
   67    H2     A   6           H2         A   6   7.954  -0.368  -8.367
   68   1H5*    A   7          1H5*        A   7  10.263   2.378  -2.186
   69   2H5*    A   7          2H5*        A   7   8.997   3.574  -2.517
   70    H4*    A   7           H4*        A   7  10.492   1.839  -4.371
   71    H3*    A   7           H3*        A   7   8.995   4.459  -4.443
   72    H2*    A   7           H2*        A   7   8.331   4.169  -6.639
   73   2HO*    A   7          2HO*        A   7  10.548   2.417  -7.052
   74    H1*    A   7           H1*        A   7   8.588   1.329  -6.842
   75    H8     A   7           H8         A   7   5.989   1.765  -4.423
   76   1H6     A   7          1H6         A   7   2.173   2.653  -7.246
   77   2H6     A   7          2H6         A   7   2.016   3.191  -8.902
   78    H2     A   7           H2         A   7   6.166   3.647 -10.529
   79   1H5*    A   8          1H5*        A   8  10.130   4.894  -8.109
   80   2H5*    A   8          2H5*        A   8  11.086   6.389  -8.185
   81    H4*    A   8           H4*        A   8   9.206   6.913  -9.491
   82    H3*    A   8           H3*        A   8   9.241   7.997  -6.755
   83    H2*    A   8           H2*        A   8   7.008   7.837  -6.318
   84   2HO*    A   8          2HO*        A   8   5.919   9.384  -7.247
   85    H1*    A   8           H1*        A   8   6.119   6.896  -8.960
   86    H8     A   8           H8         A   8   7.038   5.520  -5.453
   87   1H6     A   8          1H6         A   8   2.618   3.996  -4.208
   88   2H6     A   8          2H6         A   8   1.085   3.963  -5.053
   89    H2     A   8           H2         A   8   1.806   5.753  -9.117
   90   1H5*    U   9          1H5*        U   9   6.812  13.027  -8.306
   91   2H5*    U   9          2H5*        U   9   7.124  12.252  -6.742
   92    H4*    U   9           H4*        U   9   4.658  12.159  -8.474
   93    H3*    U   9           H3*        U   9   5.372  13.084  -5.773
   94    H2*    U   9           H2*        U   9   4.103  11.631  -4.520
   95   2HO*    U   9          2HO*        U   9   2.137  11.621  -6.584
   96    H1*    U   9           H1*        U   9   3.275   9.696  -6.411
   97    H3     U   9           H3         U   9   4.572   6.979  -3.090
   98    H5     U   9           H5         U   9   8.018   9.270  -3.898
   99    H6     U   9           H6         U   9   6.704  10.511  -5.525
  100   1H5*    C  10          1H5*        C  10   1.932  12.199  -3.457
  101   2H5*    C  10          2H5*        C  10   0.901  13.362  -4.315
  102    H4*    C  10           H4*        C  10   0.580  14.119  -2.166
  103    H3*    C  10           H3*        C  10   2.881  15.526  -3.439
  104    H2*    C  10           H2*        C  10   3.880  16.258  -1.481
  105   2HO*    C  10          2HO*        C  10   2.612  17.294  -0.154
  106    H1*    C  10           H1*        C  10   3.073  14.345   0.351
  107   1H4     C  10          1H4         C  10   8.778  12.504  -2.424
  108   2H4     C  10          2H4         C  10   9.232  13.425  -1.008
  109    H5     C  10           H5         C  10   6.494  12.284  -3.173
  110    H6     C  10           H6         C  10   4.161  12.850  -2.698
  111   1H5*    C  11          1H5*        C  11  -2.487  14.098  -3.285
  112   2H5*    C  11          2H5*        C  11  -2.930  15.804  -3.476
  113    H4*    C  11           H4*        C  11  -2.816  15.054  -0.655
  114    H3*    C  11           H3*        C  11  -3.877  12.936  -2.216
  115    H2*    C  11           H2*        C  11  -6.075  13.545  -2.674
  116   2HO*    C  11          2HO*        C  11  -7.350  13.514  -0.990
  117    H1*    C  11           H1*        C  11  -6.418  16.083  -1.770
  118   1H4     C  11          1H4         C  11  -5.246  15.895  -8.208
  119   2H4     C  11          2H4         C  11  -6.071  17.408  -7.909
  120    H5     C  11           H5         C  11  -4.626  14.378  -6.430
  121    H6     C  11           H6         C  11  -4.537  13.996  -4.063
  122   1H5*    C  12          1H5*        C  12  -4.172  10.708  -2.942
  123   2H5*    C  12          2H5*        C  12  -5.575  11.542  -2.256
  124    H4*    C  12           H4*        C  12  -5.329   8.655  -1.587
  125    H3*    C  12           H3*        C  12  -5.053   9.353  -4.322
  126    H2*    C  12           H2*        C  12  -7.188   9.752  -5.033
  127   2HO*    C  12          2HO*        C  12  -8.473   7.606  -3.959
  128    H1*    C  12           H1*        C  12  -8.817   9.051  -2.824
  129   1H4     C  12          1H4         C  12  -9.206  15.402  -4.637
  130   2H4     C  12          2H4         C  12 -10.775  14.960  -4.002
  131    H5     C  12           H5         C  12  -7.332  13.876  -4.705
  132    H6     C  12           H6         C  12  -6.566  11.650  -4.146
  133   1H5*    G  13          1H5*        G  13  -6.461   6.372  -5.691
  134   2H5*    G  13          2H5*        G  13  -5.688   6.042  -7.256
  135    H4*    G  13           H4*        G  13  -7.552   7.952  -6.967
  136    H3*    G  13           H3*        G  13  -5.062   7.900  -8.701
  137    H2*    G  13           H2*        G  13  -5.434  10.109  -9.345
  138   2HO*    G  13          2HO*        G  13  -7.644  10.998  -9.176
  139    H1*    G  13           H1*        G  13  -6.986  10.894  -7.049
  140    H8     G  13           H8         G  13  -4.735  11.299  -5.023
  141    H1     G  13           H1         G  13  -1.757  13.496 -10.212
  142   1H2     G  13          1H2         G  13  -4.198  11.735 -11.970
  143   2H2     G  13          2H2         G  13  -2.770  12.742 -12.036
  144   1H5*    A  14          1H5*        A  14  -4.345   8.938 -10.822
  145   2H5*    A  14          2H5*        A  14  -4.662   8.476 -12.506
  146    H4*    A  14           H4*        A  14  -2.721   7.326 -12.673
  147    H3*    A  14           H3*        A  14  -3.764   6.027 -10.279
  148    H2*    A  14           H2*        A  14  -1.995   6.272  -8.859
  149   2HO*    A  14          2HO*        A  14  -0.986   4.832 -10.834
  150    H1*    A  14           H1*        A  14  -0.140   7.815 -10.429
  151    H8     A  14           H8         A  14  -3.034   9.750  -9.073
  152   1H6     A  14          1H6         A  14  -1.342  10.830  -4.684
  153   2H6     A  14          2H6         A  14   0.065  10.312  -3.783
  154    H2     A  14           H2         A  14   2.231   7.331  -6.361
  155   1H5*    A  15          1H5*        A  15  -2.904   3.018 -10.201
  156   2H5*    A  15          2H5*        A  15  -3.866   1.814 -11.089
  157    H4*    A  15           H4*        A  15  -5.561   1.791  -9.447
  158    H3*    A  15           H3*        A  15  -5.288   4.483  -9.181
  159    H2*    A  15           H2*        A  15  -3.151   4.470  -8.105
  160   2HO*    A  15          2HO*        A  15  -5.265   4.458  -6.236
  161    H1*    A  15           H1*        A  15  -3.958   2.209  -6.293
  162    H8     A  15           H8         A  15  -1.215   3.244  -8.844
  163   1H6     A  15          1H6         A  15   2.624   2.134  -6.111
  164   2H6     A  15          2H6         A  15   2.789   1.516  -4.483
  165    H2     A  15           H2         A  15  -1.365   0.886  -2.894
  166   1H5*    G  16          1H5*        G  16  -8.787   0.991  -6.006
  167   2H5*    G  16          2H5*        G  16  -7.751   2.409  -5.751
  168    H4*    G  16           H4*        G  16  -6.087   1.243  -7.350
  169    H3*    G  16           H3*        G  16  -8.215  -0.696  -7.437
  170    H2*    G  16           H2*        G  16  -7.543  -1.908  -5.547
  171   2HO*    G  16          2HO*        G  16  -5.389  -2.512  -7.332
  172    H1*    G  16           H1*        G  16  -4.688  -0.965  -5.860
  173    H8     G  16           H8         G  16  -7.638  -1.464  -3.407
  174    H1     G  16           H1         G  16  -1.873  -2.514  -0.893
  175   1H2     G  16          1H2         G  16  -0.673  -1.515  -4.007
  176   2H2     G  16          2H2         G  16  -0.301  -2.056  -2.386
  177   1H5*    U  17          1H5*        U  17  -5.065  -2.458 -12.026
  178   2H5*    U  17          2H5*        U  17  -4.525  -2.283 -10.343
  179    H4*    U  17           H4*        U  17  -4.118  -0.217 -12.545
  180    H3*    U  17           H3*        U  17  -2.412  -2.460 -11.467
  181    H2*    U  17           H2*        U  17  -0.534  -1.092 -11.248
  182   2HO*    U  17          2HO*        U  17  -0.536   1.008 -12.456
  183    H1*    U  17           H1*        U  17  -1.788   1.367 -10.787
  184    H3     U  17           H3         U  17   1.330  -0.195  -7.705
  185    H5     U  17           H5         U  17  -2.525  -0.906  -6.185
  186    H6     U  17           H6         U  17  -3.404  -0.360  -8.383
  187   1H5*    A  18          1H5*        A  18   0.655  -3.885 -14.025
  188   2H5*    A  18          2H5*        A  18   0.403  -4.095 -12.280
  189    H4*    A  18           H4*        A  18   2.686  -2.721 -13.714
  190    H3*    A  18           H3*        A  18   2.329  -5.044 -11.815
  191    H2*    A  18           H2*        A  18   4.325  -4.521 -10.672
  192   2HO*    A  18          2HO*        A  18   5.778  -2.882 -11.607
  193    H1*    A  18           H1*        A  18   4.113  -1.796 -10.649
  194    H8     A  18           H8         A  18   0.663  -2.817  -9.911
  195   1H6     A  18          1H6         A  18   1.063  -4.174  -5.288
  196   2H6     A  18          2H6         A  18   2.438  -4.470  -4.247
  197    H2     A  18           H2         A  18   6.116  -3.816  -6.716
  198   1H5*    G  19          1H5*        G  19   5.702  -5.041 -12.812
  199   2H5*    G  19          2H5*        G  19   6.807  -6.339 -13.307
  200    H4*    G  19           H4*        G  19   7.583  -5.606 -11.172
  201    H3*    G  19           H3*        G  19   6.068  -8.212 -11.205
  202    H2*    G  19           H2*        G  19   6.075  -8.380  -8.857
  203   2HO*    G  19          2HO*        G  19   7.880  -6.215  -8.575
  204    H1*    G  19           H1*        G  19   5.736  -5.753  -8.196
  205    H8     G  19           H8         G  19   3.523  -6.743 -11.113
  206    H1     G  19           H1         G  19   0.992  -8.034  -5.407
  207   1H2     G  19          1H2         G  19   4.167  -7.293  -4.175
  208   2H2     G  19          2H2         G  19   2.529  -7.797  -3.824
  209   1H5*    G  20          1H5*        G  20   8.704  -8.303  -7.689
  210   2H5*    G  20          2H5*        G  20   9.448  -9.914  -7.781
  211    H4*    G  20           H4*        G  20   8.105  -9.539  -5.690
  212    H3*    G  20           H3*        G  20   7.585 -11.742  -7.664
  213    H2*    G  20           H2*        G  20   5.455 -12.094  -6.927
  214   2HO*    G  20          2HO*        G  20   5.293 -11.962  -4.407
  215    H1*    G  20           H1*        G  20   5.489  -9.907  -4.909
  216    H8     G  20           H8         G  20   4.291  -9.532  -8.493
  217    H1     G  20           H1         G  20  -0.301 -11.382  -4.469
  218   1H2     G  20          1H2         G  20   2.266 -11.556  -2.123
  219   2H2     G  20          2H2         G  20   0.564 -11.769  -2.467
  220   1H5*    C  21          1H5*        C  21   8.055 -14.884  -4.056
  221   2H5*    C  21          2H5*        C  21   7.077 -13.713  -4.963
  222    H4*    C  21           H4*        C  21   6.395 -14.144  -2.070
  223    H3*    C  21           H3*        C  21   6.177 -16.241  -4.219
  224    H2*    C  21           H2*        C  21   3.895 -16.475  -3.970
  225   2HO*    C  21          2HO*        C  21   4.310 -17.279  -1.796
  226    H1*    C  21           H1*        C  21   3.391 -14.086  -2.402
  227   1H4     C  21          1H4         C  21   0.479 -13.365  -8.205
  228   2H4     C  21          2H4         C  21  -0.782 -13.957  -7.145
  229    H5     C  21           H5         C  21   2.785 -13.161  -7.501
  230    H6     C  21           H6         C  21   4.379 -13.540  -5.732
  231   1H5*    C  22          1H5*        C  22   4.855 -20.393  -0.767
  232   2H5*    C  22          2H5*        C  22   4.034 -19.846  -2.242
  233    H4*    C  22           H4*        C  22   3.122 -19.607   0.635
  234    H3*    C  22           H3*        C  22   2.135 -20.869  -1.918
  235    H2*    C  22           H2*        C  22  -0.101 -20.364  -1.438
  236   2HO*    C  22          2HO*        C  22   0.497 -19.330   1.124
  237    H1*    C  22           H1*        C  22   0.245 -17.830  -0.549
  238   1H4     C  22          1H4         C  22   0.956 -17.517  -7.097
  239   2H4     C  22          2H4         C  22  -0.768 -17.714  -6.870
  240    H5     C  22           H5         C  22   2.549 -17.649  -5.294
  241    H6     C  22           H6         C  22   2.832 -18.029  -2.887
  242    H3T    C  22           H3T        C  22   1.715 -21.531   0.828
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1 -10.487 -20.786  -8.723
    2   2H5*    G   1          2H5*        G   1 -11.611 -19.516  -8.200
    3    H4*    G   1           H4*        G   1 -10.044 -20.079  -6.391
    4    H3*    G   1           H3*        G   1 -10.007 -17.360  -7.672
    5    H2*    G   1           H2*        G   1  -7.890 -16.882  -6.917
    6   2HO*    G   1          2HO*        G   1  -7.966 -18.120  -4.462
    7    H1*    G   1           H1*        G   1  -7.415 -19.523  -5.651
    8    H8     G   1           H8         G   1  -6.627 -18.386  -9.228
    9    H1     G   1           H1         G   1  -1.678 -17.992  -5.227
   10   1H2     G   1          1H2         G   1  -3.991 -18.909  -2.783
   11   2H2     G   1          2H2         G   1  -2.341 -18.468  -3.162
   12    H5T    G   1           H5T        G   1  -9.491 -18.333  -9.252
   13   1H5*    G   2          1H5*        G   2 -10.936 -16.189  -2.566
   14   2H5*    G   2          2H5*        G   2 -10.250 -14.569  -2.807
   15    H4*    G   2           H4*        G   2  -9.178 -16.632  -1.229
   16    H3*    G   2           H3*        G   2  -8.180 -13.968  -2.274
   17    H2*    G   2           H2*        G   2  -5.989 -14.486  -1.591
   18   2HO*    G   2          2HO*        G   2  -5.985 -16.658  -0.202
   19    H1*    G   2           H1*        G   2  -6.027 -17.216  -2.072
   20    H8     G   2           H8         G   2  -7.331 -15.721  -5.164
   21    H1     G   2           H1         G   2  -1.050 -14.779  -4.588
   22   1H2     G   2          1H2         G   2  -1.530 -15.694  -1.261
   23   2H2     G   2          2H2         G   2  -0.408 -15.199  -2.509
   24   1H5*    C   3          1H5*        C   3  -6.331 -13.882   1.722
   25   2H5*    C   3          2H5*        C   3  -6.280 -12.139   2.060
   26    H4*    C   3           H4*        C   3  -4.062 -13.542   1.546
   27    H3*    C   3           H3*        C   3  -4.849 -10.707   0.944
   28    H2*    C   3           H2*        C   3  -3.380 -10.519  -0.808
   29   2HO*    C   3          2HO*        C   3  -1.169 -11.112  -0.460
   30    H1*    C   3           H1*        C   3  -2.386 -13.322  -0.633
   31   1H4     C   3          1H4         C   3  -3.975 -12.092  -6.908
   32   2H4     C   3          2H4         C   3  -2.250 -11.815  -6.831
   33    H5     C   3           H5         C   3  -5.333 -12.521  -4.954
   34    H6     C   3           H6         C   3  -5.330 -12.700  -2.520
   35   1H5*    C   4          1H5*        C   4  -0.177 -12.361   0.646
   36   2H5*    C   4          2H5*        C   4   0.901 -12.535   2.046
   37    H4*    C   4           H4*        C   4   2.078 -10.725   1.407
   38    H3*    C   4           H3*        C   4  -0.655  -9.417   1.560
   39    H2*    C   4           H2*        C   4   0.110  -7.602   0.295
   40   2HO*    C   4          2HO*        C   4   1.906  -7.019   1.434
   41    H1*    C   4           H1*        C   4   2.013  -8.926  -1.269
   42   1H4     C   4          1H4         C   4  -3.772  -8.224  -4.404
   43   2H4     C   4          2H4         C   4  -2.489  -7.949  -5.564
   44    H5     C   4           H5         C   4  -3.358  -8.770  -2.085
   45    H6     C   4           H6         C   4  -1.621  -9.231  -0.405
   46   1H5*    G   5          1H5*        G   5   1.381  -4.913   2.638
   47   2H5*    G   5          2H5*        G   5  -0.064  -4.659   1.645
   48    H4*    G   5           H4*        G   5   2.744  -5.342   0.810
   49    H3*    G   5           H3*        G   5   0.608  -3.351   0.081
   50    H2*    G   5           H2*        G   5   1.134  -3.441  -2.213
   51   2HO*    G   5          2HO*        G   5   3.204  -3.518  -2.662
   52    H1*    G   5           H1*        G   5   1.378  -6.058  -2.551
   53    H8     G   5           H8         G   5  -1.155  -5.815   0.133
   54    H1     G   5           H1         G   5  -3.534  -3.658  -5.365
   55   1H2     G   5          1H2         G   5  -0.238  -3.788  -6.483
   56   2H2     G   5          2H2         G   5  -1.903  -3.388  -6.841
   57   1H5*    A   6          1H5*        A   6   3.024   0.163  -1.941
   58   2H5*    A   6          2H5*        A   6   2.296  -1.433  -1.678
   59    H4*    A   6           H4*        A   6   4.913  -1.939  -1.028
   60    H3*    A   6           H3*        A   6   4.881   0.362  -2.995
   61    H2*    A   6           H2*        A   6   6.512  -0.708  -4.344
   62   2HO*    A   6          2HO*        A   6   6.911  -2.358  -2.050
   63    H1*    A   6           H1*        A   6   5.516  -3.228  -4.260
   64    H8     A   6           H8         A   6   2.308  -1.670  -4.535
   65   1H6     A   6          1H6         A   6   2.293  -0.112  -9.097
   66   2H6     A   6          2H6         A   6   3.558   0.145 -10.279
   67    H2     A   6           H2         A   6   7.428  -1.036  -8.317
   68   1H5*    A   7          1H5*        A   7   8.495  -0.002  -2.437
   69   2H5*    A   7          2H5*        A   7   9.599   1.354  -2.127
   70    H4*    A   7           H4*        A   7  10.065   0.429  -4.335
   71    H3*    A   7           H3*        A   7   8.757   3.160  -4.193
   72    H2*    A   7           H2*        A   7   8.615   3.265  -6.528
   73   2HO*    A   7          2HO*        A   7  10.959   1.795  -6.326
   74    H1*    A   7           H1*        A   7   8.463   0.488  -7.065
   75    H8     A   7           H8         A   7   5.634   1.203  -4.869
   76   1H6     A   7          1H6         A   7   2.420   2.827  -8.073
   77   2H6     A   7          2H6         A   7   2.568   3.437  -9.707
   78    H2     A   7           H2         A   7   6.912   3.227 -10.797
   79   1H5*    A   8          1H5*        A   8  10.781   3.778  -7.280
   80   2H5*    A   8          2H5*        A   8  11.886   5.152  -7.093
   81    H4*    A   8           H4*        A   8  10.486   5.796  -8.882
   82    H3*    A   8           H3*        A   8   9.981   7.068  -6.264
   83    H2*    A   8           H2*        A   8   7.705   7.343  -6.477
   84   2HO*    A   8          2HO*        A   8   7.271   8.008  -8.986
   85    H1*    A   8           H1*        A   8   7.277   6.131  -9.068
   86    H8     A   8           H8         A   8   7.474   4.754  -5.443
   87   1H6     A   8          1H6         A   8   2.764   3.936  -4.806
   88   2H6     A   8          2H6         A   8   1.359   4.188  -5.817
   89    H2     A   8           H2         A   8   2.842   5.961  -9.678
   90   1H5*    U   9          1H5*        U   9   8.261  10.535  -8.984
   91   2H5*    U   9          2H5*        U   9   8.361  11.783  -7.728
   92    H4*    U   9           H4*        U   9   6.019  10.766  -8.593
   93    H3*    U   9           H3*        U   9   6.916  12.120  -6.140
   94    H2*    U   9           H2*        U   9   5.626  11.016  -4.593
   95   2HO*    U   9          2HO*        U   9   3.481  10.825  -4.882
   96    H1*    U   9           H1*        U   9   4.719   8.744  -5.956
   97    H3     U   9           H3         U   9   6.364   6.903  -2.203
   98    H5     U   9           H5         U   9   9.672   8.935  -3.852
   99    H6     U   9           H6         U   9   8.189   9.722  -5.620
  100   1H5*    C  10          1H5*        C  10   4.072  12.488  -4.120
  101   2H5*    C  10          2H5*        C  10   3.254  13.964  -4.666
  102    H4*    C  10           H4*        C  10   3.433  14.557  -2.471
  103    H3*    C  10           H3*        C  10   6.077  15.235  -3.755
  104    H2*    C  10           H2*        C  10   7.106  15.651  -1.680
  105   2HO*    C  10          2HO*        C  10   4.656  15.491  -0.264
  106    H1*    C  10           H1*        C  10   5.964  13.660  -0.197
  107   1H4     C  10          1H4         C  10  10.897  11.139  -3.808
  108   2H4     C  10          2H4         C  10  11.589  11.489  -2.239
  109    H5     C  10           H5         C  10   8.637  11.732  -4.416
  110    H6     C  10           H6         C  10   6.550  12.749  -3.626
  111   1H5*    C  11          1H5*        C  11   1.974  19.194  -3.767
  112   2H5*    C  11          2H5*        C  11   2.897  18.686  -2.343
  113    H4*    C  11           H4*        C  11   3.031  16.449  -3.981
  114    H3*    C  11           H3*        C  11   0.748  17.940  -4.936
  115    H2*    C  11           H2*        C  11  -1.017  17.016  -3.766
  116   2HO*    C  11          2HO*        C  11  -1.220  14.789  -3.600
  117    H1*    C  11           H1*        C  11   0.099  15.574  -1.721
  118   1H4     C  11          1H4         C  11  -1.959  21.499   0.150
  119   2H4     C  11          2H4         C  11  -2.000  20.491   1.579
  120    H5     C  11           H5         C  11  -1.148  20.696  -1.983
  121    H6     C  11           H6         C  11  -0.126  18.891  -3.186
  122   1H5*    C  12          1H5*        C  12  -1.365  15.670  -5.664
  123   2H5*    C  12          2H5*        C  12  -1.224  13.910  -5.836
  124    H4*    C  12           H4*        C  12  -2.642  14.010  -7.865
  125    H3*    C  12           H3*        C  12  -2.111  16.868  -7.637
  126    H2*    C  12           H2*        C  12  -4.193  17.675  -7.096
  127   2HO*    C  12          2HO*        C  12  -4.804  16.803  -9.284
  128    H1*    C  12           H1*        C  12  -5.659  15.411  -6.351
  129   1H4     C  12          1H4         C  12  -3.630  19.134  -1.260
  130   2H4     C  12          2H4         C  12  -5.154  18.413  -0.795
  131    H5     C  12           H5         C  12  -2.541  18.677  -3.358
  132    H6     C  12           H6         C  12  -2.669  17.427  -5.460
  133   1H5*    G  13          1H5*        G  13  -6.184  13.127  -9.433
  134   2H5*    G  13          2H5*        G  13  -6.114  12.988  -7.664
  135    H4*    G  13           H4*        G  13  -4.204  11.759  -9.686
  136    H3*    G  13           H3*        G  13  -6.562  10.792  -8.226
  137    H2*    G  13           H2*        G  13  -5.570   9.209  -6.834
  138   2HO*    G  13          2HO*        G  13  -3.434   8.361  -7.379
  139    H1*    G  13           H1*        G  13  -3.196  10.327  -6.240
  140    H8     G  13           H8         G  13  -3.776  13.093  -5.096
  141    H1     G  13           H1         G  13  -9.369  10.381  -3.673
  142   1H2     G  13          1H2         G  13  -8.464   8.003  -6.056
  143   2H2     G  13          2H2         G  13  -9.655   8.553  -4.899
  144   1H5*    A  14          1H5*        A  14  -4.017   9.458 -11.045
  145   2H5*    A  14          2H5*        A  14  -4.374   8.625 -12.573
  146    H4*    A  14           H4*        A  14  -2.309   7.747 -12.565
  147    H3*    A  14           H3*        A  14  -3.597   6.350 -10.320
  148    H2*    A  14           H2*        A  14  -1.888   6.469  -8.803
  149   2HO*    A  14          2HO*        A  14  -0.556   4.949  -9.393
  150    H1*    A  14           H1*        A  14   0.091   7.918 -10.385
  151    H8     A  14           H8         A  14  -2.611   9.837  -8.551
  152   1H6     A  14          1H6         A  14  -0.263  10.624  -4.391
  153   2H6     A  14          2H6         A  14   1.234  10.006  -3.729
  154    H2     A  14           H2         A  14   2.950   7.197  -6.791
  155   1H5*    A  15          1H5*        A  15  -3.175   4.579  -9.299
  156   2H5*    A  15          2H5*        A  15  -2.906   3.056 -10.137
  157    H4*    A  15           H4*        A  15  -5.452   2.641  -9.428
  158    H3*    A  15           H3*        A  15  -5.302   5.025  -8.213
  159    H2*    A  15           H2*        A  15  -3.197   4.722  -7.116
  160   2HO*    A  15          2HO*        A  15  -4.970   3.550  -5.205
  161    H1*    A  15           H1*        A  15  -3.857   1.990  -6.122
  162    H8     A  15           H8         A  15  -1.322   3.402  -8.709
  163   1H6     A  15          1H6         A  15   2.698   2.076  -6.372
  164   2H6     A  15          2H6         A  15   2.986   1.349  -4.807
  165    H2     A  15           H2         A  15  -1.031   0.658  -2.927
  166   1H5*    G  16          1H5*        G  16  -9.006   0.527  -7.588
  167   2H5*    G  16          2H5*        G  16  -9.173   0.798  -5.841
  168    H4*    G  16           H4*        G  16  -6.437   1.076  -7.036
  169    H3*    G  16           H3*        G  16  -8.022  -1.404  -7.243
  170    H2*    G  16           H2*        G  16  -7.163  -2.345  -5.294
  171   2HO*    G  16          2HO*        G  16  -4.518  -2.058  -6.161
  172    H1*    G  16           H1*        G  16  -4.918  -0.325  -5.209
  173    H8     G  16           H8         G  16  -7.945  -1.020  -2.909
  174    H1     G  16           H1         G  16  -2.275  -2.425  -0.344
  175   1H2     G  16          1H2         G  16  -0.998  -1.586  -3.474
  176   2H2     G  16          2H2         G  16  -0.671  -2.114  -1.839
  177   1H5*    U  17          1H5*        U  17  -5.978  -0.864 -11.461
  178   2H5*    U  17          2H5*        U  17  -5.122  -2.286 -12.089
  179    H4*    U  17           H4*        U  17  -4.119  -0.035 -12.724
  180    H3*    U  17           H3*        U  17  -2.604  -2.263 -11.340
  181    H2*    U  17           H2*        U  17  -0.664  -0.935 -11.209
  182   2HO*    U  17          2HO*        U  17  -0.466  -0.193 -13.274
  183    H1*    U  17           H1*        U  17  -1.845   1.516 -10.775
  184    H3     U  17           H3         U  17   0.913  -0.359  -7.484
  185    H5     U  17           H5         U  17  -3.093  -0.723  -6.273
  186    H6     U  17           H6         U  17  -3.759  -0.081  -8.517
  187   1H5*    A  18          1H5*        A  18   1.040  -0.825 -14.002
  188   2H5*    A  18          2H5*        A  18   1.161  -2.449 -14.707
  189    H4*    A  18           H4*        A  18   3.202  -1.598 -13.390
  190    H3*    A  18           H3*        A  18   1.800  -4.247 -12.923
  191    H2*    A  18           H2*        A  18   3.183  -4.700 -11.104
  192   2HO*    A  18          2HO*        A  18   5.287  -4.412 -11.254
  193    H1*    A  18           H1*        A  18   3.939  -1.993 -10.505
  194    H8     A  18           H8         A  18   0.329  -2.410  -9.883
  195   1H6     A  18          1H6         A  18   0.421  -4.324  -5.448
  196   2H6     A  18          2H6         A  18   1.698  -5.009  -4.470
  197    H2     A  18           H2         A  18   5.447  -4.841  -6.912
  198   1H5*    G  19          1H5*        G  19   5.698  -5.180 -13.560
  199   2H5*    G  19          2H5*        G  19   6.076  -6.844 -14.051
  200    H4*    G  19           H4*        G  19   6.535  -6.351 -11.614
  201    H3*    G  19           H3*        G  19   4.583  -8.514 -12.494
  202    H2*    G  19           H2*        G  19   3.843  -8.819 -10.420
  203   2HO*    G  19          2HO*        G  19   6.058  -8.057  -8.962
  204    H1*    G  19           H1*        G  19   5.013  -6.452  -9.209
  205    H8     G  19           H8         G  19   1.887  -6.439 -11.372
  206    H1     G  19           H1         G  19   0.802  -7.830  -5.263
  207   1H2     G  19          1H2         G  19   4.264  -7.847  -4.974
  208   2H2     G  19          2H2         G  19   2.720  -8.065  -4.182
  209   1H5*    G  20          1H5*        G  20   7.907  -7.795  -8.348
  210   2H5*    G  20          2H5*        G  20   9.201  -9.002  -8.233
  211    H4*    G  20           H4*        G  20   7.728  -9.290  -6.334
  212    H3*    G  20           H3*        G  20   7.723 -11.382  -8.490
  213    H2*    G  20           H2*        G  20   5.658 -12.192  -7.876
  214   2HO*    G  20          2HO*        G  20   6.542 -13.341  -6.188
  215    H1*    G  20           H1*        G  20   5.270 -10.216  -5.664
  216    H8     G  20           H8         G  20   4.067 -10.375  -9.352
  217    H1     G  20           H1         G  20  -0.392 -11.461  -4.902
  218   1H2     G  20          1H2         G  20   2.250 -11.240  -2.655
  219   2H2     G  20          2H2         G  20   0.540 -11.513  -2.899
  220   1H5*    C  21          1H5*        C  21   8.184 -12.389  -2.519
  221   2H5*    C  21          2H5*        C  21   8.352 -14.108  -2.923
  222    H4*    C  21           H4*        C  21   6.135 -12.870  -1.724
  223    H3*    C  21           H3*        C  21   6.754 -15.581  -2.881
  224    H2*    C  21           H2*        C  21   4.569 -15.905  -3.553
  225   2HO*    C  21          2HO*        C  21   2.951 -15.148  -1.734
  226    H1*    C  21           H1*        C  21   3.649 -13.257  -2.510
  227   1H4     C  21          1H4         C  21   0.913 -13.716  -8.388
  228   2H4     C  21          2H4         C  21  -0.340 -14.250  -7.289
  229    H5     C  21           H5         C  21   3.181 -13.277  -7.673
  230    H6     C  21           H6         C  21   4.737 -13.292  -5.822
  231   1H5*    C  22          1H5*        C  22   4.496 -17.968   1.612
  232   2H5*    C  22          2H5*        C  22   4.783 -19.026   0.215
  233    H4*    C  22           H4*        C  22   2.280 -18.303   1.413
  234    H3*    C  22           H3*        C  22   3.176 -19.939  -0.976
  235    H2*    C  22           H2*        C  22   0.991 -20.057  -1.746
  236   2HO*    C  22          2HO*        C  22  -0.577 -20.446  -0.390
  237    H1*    C  22           H1*        C  22   0.113 -17.573  -0.688
  238   1H4     C  22          1H4         C  22   1.874 -16.796  -7.011
  239   2H4     C  22          2H4         C  22   0.168 -17.183  -7.053
  240    H5     C  22           H5         C  22   3.185 -16.828  -4.990
  241    H6     C  22           H6         C  22   3.143 -17.239  -2.572
  242    H3T    C  22           H3T        C  22   1.542 -20.758   1.180
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1 -10.976 -19.769  -8.732
    2   2H5*    G   1          2H5*        G   1  -9.372 -20.498  -8.946
    3    H4*    G   1           H4*        G   1 -10.612 -20.671  -6.222
    4    H3*    G   1           H3*        G   1  -9.729 -18.098  -7.563
    5    H2*    G   1           H2*        G   1  -8.573 -17.455  -5.626
    6   2HO*    G   1          2HO*        G   1  -8.924 -18.720  -3.616
    7    H1*    G   1           H1*        G   1  -7.622 -19.919  -4.854
    8    H8     G   1           H8         G   1  -7.615 -18.304  -8.377
    9    H1     G   1           H1         G   1  -2.027 -18.137  -5.314
   10   1H2     G   1          1H2         G   1  -3.744 -19.739  -2.740
   11   2H2     G   1          2H2         G   1  -2.239 -19.052  -3.305
   12    H5T    G   1           H5T        G   1 -10.322 -22.341  -9.010
   13   1H5*    G   2          1H5*        G   2 -10.382 -14.969  -3.491
   14   2H5*    G   2          2H5*        G   2  -9.337 -15.605  -4.776
   15    H4*    G   2           H4*        G   2  -9.461 -16.985  -2.088
   16    H3*    G   2           H3*        G   2  -8.086 -14.375  -2.764
   17    H2*    G   2           H2*        G   2  -6.106 -15.081  -1.698
   18   2HO*    G   2          2HO*        G   2  -7.836 -16.913  -0.392
   19    H1*    G   2           H1*        G   2  -6.135 -17.725  -2.424
   20    H8     G   2           H8         G   2  -7.006 -15.978  -5.524
   21    H1     G   2           H1         G   2  -0.887 -15.034  -4.018
   22   1H2     G   2          1H2         G   2  -1.758 -16.367  -0.922
   23   2H2     G   2          2H2         G   2  -0.509 -15.676  -1.936
   24   1H5*    C   3          1H5*        C   3  -6.969 -14.442   1.024
   25   2H5*    C   3          2H5*        C   3  -7.019 -12.807   1.715
   26    H4*    C   3           H4*        C   3  -4.689 -13.813   1.277
   27    H3*    C   3           H3*        C   3  -5.696 -11.103   0.462
   28    H2*    C   3           H2*        C   3  -4.082 -10.816  -1.149
   29   2HO*    C   3          2HO*        C   3  -2.466 -10.353   0.263
   30    H1*    C   3           H1*        C   3  -2.883 -13.518  -0.876
   31   1H4     C   3          1H4         C   3  -4.379 -12.336  -7.200
   32   2H4     C   3          2H4         C   3  -2.710 -11.833  -7.045
   33    H5     C   3           H5         C   3  -5.735 -13.014  -5.317
   34    H6     C   3           H6         C   3  -5.787 -13.305  -2.890
   35   1H5*    C   4          1H5*        C   4  -0.583 -12.009   0.834
   36   2H5*    C   4          2H5*        C   4   0.143 -11.722   2.428
   37    H4*    C   4           H4*        C   4   1.104  -9.868   1.603
   38    H3*    C   4           H3*        C   4  -1.819  -9.119   1.487
   39    H2*    C   4           H2*        C   4  -1.583  -7.647  -0.204
   40   2HO*    C   4          2HO*        C   4   0.845  -6.629  -0.063
   41    H1*    C   4           H1*        C   4   1.164  -8.312  -0.972
   42   1H4     C   4          1H4         C   4  -3.454  -8.927  -5.681
   43   2H4     C   4          2H4         C   4  -1.967  -8.466  -6.479
   44    H5     C   4           H5         C   4  -3.607  -9.297  -3.285
   45    H6     C   4           H6         C   4  -2.378  -9.382  -1.207
   46   1H5*    G   5          1H5*        G   5   2.894  -5.491   2.259
   47   2H5*    G   5          2H5*        G   5   1.160  -5.223   1.989
   48    H4*    G   5           H4*        G   5   3.426  -5.251   0.011
   49    H3*    G   5           H3*        G   5   0.951  -3.570   0.563
   50    H2*    G   5           H2*        G   5   0.956  -2.892  -1.700
   51   2HO*    G   5          2HO*        G   5   3.454  -2.730  -1.484
   52    H1*    G   5           H1*        G   5   1.758  -5.314  -2.805
   53    H8     G   5           H8         G   5  -0.981  -5.543  -0.150
   54    H1     G   5           H1         G   5  -3.245  -4.154  -5.937
   55   1H2     G   5          1H2         G   5   0.101  -3.840  -6.846
   56   2H2     G   5          2H2         G   5  -1.577  -3.740  -7.330
   57   1H5*    A   6          1H5*        A   6   3.563   0.890  -1.303
   58   2H5*    A   6          2H5*        A   6   2.848  -0.701  -1.637
   59    H4*    A   6           H4*        A   6   5.704  -0.966  -1.180
   60    H3*    A   6           H3*        A   6   4.800   1.132  -3.193
   61    H2*    A   6           H2*        A   6   6.574   0.394  -4.616
   62   2HO*    A   6          2HO*        A   6   7.472  -1.162  -2.387
   63    H1*    A   6           H1*        A   6   6.128  -2.279  -4.266
   64    H8     A   6           H8         A   6   2.679  -1.260  -4.450
   65   1H6     A   6          1H6         A   6   2.189   0.007  -9.081
   66   2H6     A   6          2H6         A   6   3.338   0.321 -10.364
   67    H2     A   6           H2         A   6   7.438  -0.219  -8.601
   68   1H5*    A   7          1H5*        A   7   9.855   2.800  -2.075
   69   2H5*    A   7          2H5*        A   7   8.118   2.830  -2.441
   70    H4*    A   7           H4*        A   7  10.261   1.593  -4.218
   71    H3*    A   7           H3*        A   7   8.865   4.292  -4.224
   72    H2*    A   7           H2*        A   7   8.663   4.186  -6.557
   73   2HO*    A   7          2HO*        A   7  10.194   2.291  -7.465
   74    H1*    A   7           H1*        A   7   8.663   1.346  -6.803
   75    H8     A   7           H8         A   7   5.774   2.371  -4.725
   76   1H6     A   7          1H6         A   7   2.531   3.091  -8.212
   77   2H6     A   7          2H6         A   7   2.663   3.335  -9.939
   78    H2     A   7           H2         A   7   7.034   3.117 -10.950
   79   1H5*    A   8          1H5*        A   8  10.767   4.241  -7.854
   80   2H5*    A   8          2H5*        A   8  11.815   5.671  -7.871
   81    H4*    A   8           H4*        A   8  10.310   5.923  -9.715
   82    H3*    A   8           H3*        A   8  10.041   7.682  -7.364
   83    H2*    A   8           H2*        A   8   7.756   7.929  -7.414
   84   2HO*    A   8          2HO*        A   8   6.833   8.602  -9.495
   85    H1*    A   8           H1*        A   8   7.192   6.358  -9.834
   86    H8     A   8           H8         A   8   7.347   5.844  -5.999
   87   1H6     A   8          1H6         A   8   2.654   4.935  -5.278
   88   2H6     A   8          2H6         A   8   1.276   4.853  -6.353
   89    H2     A   8           H2         A   8   2.796   5.757 -10.489
   90   1H5*    U   9          1H5*        U   9   8.655   8.978 -11.226
   91   2H5*    U   9          2H5*        U   9   9.357  10.490 -11.833
   92    H4*    U   9           H4*        U   9   7.080  10.461 -12.574
   93    H3*    U   9           H3*        U   9   7.912  12.379 -10.490
   94    H2*    U   9           H2*        U   9   5.905  12.620  -9.390
   95   2HO*    U   9          2HO*        U   9   4.083  12.169 -11.344
   96    H1*    U   9           H1*        U   9   4.345  10.513 -10.490
   97    H3     U   9           H3         U   9   3.270  10.129  -6.154
   98    H5     U   9           H5         U   9   7.475   9.811  -6.172
   99    H6     U   9           H6         U   9   7.410  10.176  -8.566
  100   1H5*    C  10          1H5*        C  10   7.630  16.736 -10.520
  101   2H5*    C  10          2H5*        C  10   7.781  15.758  -9.045
  102    H4*    C  10           H4*        C  10   5.303  16.329 -10.690
  103    H3*    C  10           H3*        C  10   6.216  16.744  -7.828
  104    H2*    C  10           H2*        C  10   4.025  16.397  -7.051
  105   2HO*    C  10          2HO*        C  10   2.750  16.319  -9.521
  106    H1*    C  10           H1*        C  10   3.253  14.449  -8.869
  107   1H4     C  10          1H4         C  10   6.316  11.698  -3.696
  108   2H4     C  10          2H4         C  10   4.621  11.723  -3.266
  109    H5     C  10           H5         C  10   7.183  12.721  -5.699
  110    H6     C  10           H6         C  10   6.604  13.948  -7.739
  111   1H5*    C  11          1H5*        C  11   2.265  19.961  -6.307
  112   2H5*    C  11          2H5*        C  11   3.917  19.991  -5.659
  113    H4*    C  11           H4*        C  11   3.496  17.522  -4.991
  114    H3*    C  11           H3*        C  11   0.867  18.251  -6.148
  115    H2*    C  11           H2*        C  11  -0.446  17.955  -4.243
  116   2HO*    C  11          2HO*        C  11   0.298  16.726  -2.441
  117    H1*    C  11           H1*        C  11   1.129  18.937  -2.298
  118   1H4     C  11          1H4         C  11  -1.835  23.883  -5.378
  119   2H4     C  11          2H4         C  11  -0.208  24.458  -5.666
  120    H5     C  11           H5         C  11  -2.320  21.736  -4.403
  121    H6     C  11           H6         C  11  -1.368  19.688  -3.483
  122   1H5*    C  12          1H5*        C  12  -1.913  16.603  -3.488
  123   2H5*    C  12          2H5*        C  12  -1.753  14.926  -4.050
  124    H4*    C  12           H4*        C  12  -3.999  15.346  -4.425
  125    H3*    C  12           H3*        C  12  -2.283  15.286  -6.720
  126    H2*    C  12           H2*        C  12  -2.939  17.135  -7.848
  127   2HO*    C  12          2HO*        C  12  -5.659  16.540  -7.665
  128    H1*    C  12           H1*        C  12  -5.298  17.886  -6.340
  129   1H4     C  12          1H4         C  12  -0.617  22.482  -7.471
  130   2H4     C  12          2H4         C  12  -2.153  23.301  -7.645
  131    H5     C  12           H5         C  12  -0.428  20.125  -6.896
  132    H6     C  12           H6         C  12  -1.643  18.129  -6.326
  133   1H5*    G  13          1H5*        G  13  -7.410  14.280  -9.175
  134   2H5*    G  13          2H5*        G  13  -6.996  13.117  -7.906
  135    H4*    G  13           H4*        G  13  -5.358  14.130 -10.185
  136    H3*    G  13           H3*        G  13  -5.871  11.530  -8.770
  137    H2*    G  13           H2*        G  13  -3.638  10.795  -8.921
  138   2HO*    G  13          2HO*        G  13  -2.926  11.201 -10.917
  139    H1*    G  13           H1*        G  13  -2.351  13.054  -8.258
  140    H8     G  13           H8         G  13  -2.645  13.527  -5.485
  141    H1     G  13           H1         G  13  -6.384   8.361  -5.233
  142   1H2     G  13          1H2         G  13  -6.618   8.732  -8.692
  143   2H2     G  13          2H2         G  13  -7.102   7.838  -7.267
  144   1H5*    A  14          1H5*        A  14  -5.557   7.633 -10.803
  145   2H5*    A  14          2H5*        A  14  -4.829   7.673  -9.186
  146    H4*    A  14           H4*        A  14  -3.480   7.970 -11.877
  147    H3*    A  14           H3*        A  14  -3.686   5.902  -9.858
  148    H2*    A  14           H2*        A  14  -1.676   6.140  -8.776
  149   2HO*    A  14          2HO*        A  14  -0.029   5.428  -9.894
  150    H1*    A  14           H1*        A  14  -0.445   8.268 -10.268
  151    H8     A  14           H8         A  14  -3.063   9.134  -7.658
  152   1H6     A  14          1H6         A  14  -0.116   9.803  -3.884
  153   2H6     A  14          2H6         A  14   1.586   9.485  -3.628
  154    H2     A  14           H2         A  14   3.175   7.748  -7.458
  155   1H5*    A  15          1H5*        A  15  -2.675   3.152  -9.953
  156   2H5*    A  15          2H5*        A  15  -3.784   2.058 -10.809
  157    H4*    A  15           H4*        A  15  -5.248   1.918  -9.010
  158    H3*    A  15           H3*        A  15  -5.121   4.638  -8.819
  159    H2*    A  15           H2*        A  15  -2.990   4.795  -7.766
  160   2HO*    A  15          2HO*        A  15  -3.372   5.162  -5.560
  161    H1*    A  15           H1*        A  15  -3.557   2.474  -5.952
  162    H8     A  15           H8         A  15  -0.932   3.477  -8.674
  163   1H6     A  15          1H6         A  15   3.016   2.779  -5.996
  164   2H6     A  15          2H6         A  15   3.266   2.380  -4.311
  165    H2     A  15           H2         A  15  -0.804   1.878  -2.472
  166   1H5*    G  16          1H5*        G  16  -8.777   0.957  -6.048
  167   2H5*    G  16          2H5*        G  16  -7.702   2.281  -5.563
  168    H4*    G  16           H4*        G  16  -5.937   0.963  -7.051
  169    H3*    G  16           H3*        G  16  -8.180  -0.921  -6.936
  170    H2*    G  16           H2*        G  16  -7.420  -2.077  -5.067
  171   2HO*    G  16          2HO*        G  16  -6.202  -3.680  -5.748
  172    H1*    G  16           H1*        G  16  -4.622  -0.981  -5.357
  173    H8     G  16           H8         G  16  -7.637  -1.424  -2.970
  174    H1     G  16           H1         G  16  -1.930  -2.099  -0.208
  175   1H2     G  16          1H2         G  16  -0.659  -1.323  -3.359
  176   2H2     G  16          2H2         G  16  -0.326  -1.709  -1.686
  177   1H5*    U  17          1H5*        U  17  -4.376  -3.100 -10.123
  178   2H5*    U  17          2H5*        U  17  -4.560  -1.769  -8.967
  179    H4*    U  17           H4*        U  17  -4.237  -0.990 -11.826
  180    H3*    U  17           H3*        U  17  -2.148  -2.542 -10.290
  181    H2*    U  17           H2*        U  17  -0.451  -1.008 -10.920
  182   2HO*    U  17          2HO*        U  17  -2.134   0.517 -12.577
  183    H1*    U  17           H1*        U  17  -1.807   1.287 -10.522
  184    H3     U  17           H3         U  17   1.393  -0.093  -7.389
  185    H5     U  17           H5         U  17  -2.432  -0.715  -5.748
  186    H6     U  17           H6         U  17  -3.358  -0.273  -7.946
  187   1H5*    A  18          1H5*        A  18  -0.109  -1.836 -13.107
  188   2H5*    A  18          2H5*        A  18   0.232  -3.110 -14.296
  189    H4*    A  18           H4*        A  18   2.360  -2.227 -13.812
  190    H3*    A  18           H3*        A  18   1.770  -4.723 -12.200
  191    H2*    A  18           H2*        A  18   3.839  -4.522 -11.066
  192   2HO*    A  18          2HO*        A  18   5.562  -3.643 -11.983
  193    H1*    A  18           H1*        A  18   3.880  -1.803 -10.753
  194    H8     A  18           H8         A  18   0.385  -2.880 -10.043
  195   1H6     A  18          1H6         A  18   0.863  -4.301  -5.461
  196   2H6     A  18          2H6         A  18   2.249  -4.593  -4.436
  197    H2     A  18           H2         A  18   5.896  -3.822  -6.936
  198   1H5*    G  19          1H5*        G  19   7.069  -5.770 -13.211
  199   2H5*    G  19          2H5*        G  19   6.102  -7.252 -13.055
  200    H4*    G  19           H4*        G  19   7.728  -6.008 -11.072
  201    H3*    G  19           H3*        G  19   5.842  -8.381 -11.195
  202    H2*    G  19           H2*        G  19   5.872  -8.543  -8.836
  203   2HO*    G  19          2HO*        G  19   7.426  -6.985  -7.713
  204    H1*    G  19           H1*        G  19   5.756  -5.877  -8.257
  205    H8     G  19           H8         G  19   3.500  -6.663 -11.194
  206    H1     G  19           H1         G  19   0.847  -7.969  -5.557
  207   1H2     G  19          1H2         G  19   4.041  -7.412  -4.271
  208   2H2     G  19          2H2         G  19   2.373  -7.828  -3.947
  209   1H5*    G  20          1H5*        G  20   7.305 -12.048  -8.566
  210   2H5*    G  20          2H5*        G  20   6.224 -10.755  -9.125
  211    H4*    G  20           H4*        G  20   8.070 -10.046  -6.894
  212    H3*    G  20           H3*        G  20   6.005 -12.239  -6.687
  213    H2*    G  20           H2*        G  20   5.111 -11.291  -4.681
  214   2HO*    G  20          2HO*        G  20   6.483  -9.231  -4.021
  215    H1*    G  20           H1*        G  20   5.153  -8.711  -5.396
  216    H8     G  20           H8         G  20   3.999  -9.520  -8.585
  217    H1     G  20           H1         G  20  -0.373 -11.401  -4.351
  218   1H2     G  20          1H2         G  20   2.212 -11.163  -2.027
  219   2H2     G  20          2H2         G  20   0.535 -11.551  -2.335
  220   1H5*    C  21          1H5*        C  21   7.249 -12.173  -3.617
  221   2H5*    C  21          2H5*        C  21   7.998 -13.114  -2.312
  222    H4*    C  21           H4*        C  21   5.786 -13.190  -1.640
  223    H3*    C  21           H3*        C  21   6.419 -15.552  -3.390
  224    H2*    C  21           H2*        C  21   4.207 -15.868  -3.969
  225   2HO*    C  21          2HO*        C  21   2.947 -15.303  -1.622
  226    H1*    C  21           H1*        C  21   3.227 -13.530  -2.400
  227   1H4     C  21          1H4         C  21   0.392 -13.097  -8.260
  228   2H4     C  21          2H4         C  21  -0.784 -13.951  -7.286
  229    H5     C  21           H5         C  21   2.621 -12.580  -7.468
  230    H6     C  21           H6         C  21   4.179 -12.752  -5.654
  231   1H5*    C  22          1H5*        C  22   5.515 -19.851  -0.782
  232   2H5*    C  22          2H5*        C  22   4.808 -18.907  -2.111
  233    H4*    C  22           H4*        C  22   3.481 -19.594   0.541
  234    H3*    C  22           H3*        C  22   3.186 -20.529  -2.320
  235    H2*    C  22           H2*        C  22   0.861 -20.713  -2.065
  236   2HO*    C  22          2HO*        C  22   0.011 -20.298   0.204
  237    H1*    C  22           H1*        C  22   0.482 -18.419  -0.598
  238   1H4     C  22          1H4         C  22   0.952 -16.564  -6.915
  239   2H4     C  22          2H4         C  22  -0.688 -17.152  -6.756
  240    H5     C  22           H5         C  22   2.592 -16.739  -5.163
  241    H6     C  22           H6         C  22   3.021 -17.516  -2.877
  242    H3T    C  22           H3T        C  22   2.835 -21.779   0.230
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1 -11.265 -17.438  -9.500
    2   2H5*    G   1          2H5*        G   1 -12.730 -17.050  -8.577
    3    H4*    G   1           H4*        G   1 -11.505 -17.821  -6.812
    4    H3*    G   1           H3*        G   1 -10.596 -14.960  -7.242
    5    H2*    G   1           H2*        G   1  -8.820 -15.224  -5.860
    6   2HO*    G   1          2HO*        G   1  -9.480 -17.399  -4.369
    7    H1*    G   1           H1*        G   1  -8.606 -18.083  -5.911
    8    H8     G   1           H8         G   1  -7.974 -15.549  -8.751
    9    H1     G   1           H1         G   1  -2.717 -17.506  -5.721
   10   1H2     G   1          1H2         G   1  -4.926 -19.238  -3.658
   11   2H2     G   1          2H2         G   1  -3.267 -18.829  -4.029
   12    H5T    G   1           H5T        G   1 -12.042 -14.921  -8.441
   13   1H5*    G   2          1H5*        G   2 -10.409 -13.554  -2.076
   14   2H5*    G   2          2H5*        G   2  -9.415 -13.737  -3.537
   15    H4*    G   2           H4*        G   2  -9.554 -15.815  -1.318
   16    H3*    G   2           H3*        G   2  -7.786 -13.382  -1.684
   17    H2*    G   2           H2*        G   2  -5.877 -14.625  -1.066
   18   2HO*    G   2          2HO*        G   2  -7.674 -15.930   0.462
   19    H1*    G   2           H1*        G   2  -6.505 -16.994  -2.302
   20    H8     G   2           H8         G   2  -7.337 -14.413  -4.803
   21    H1     G   2           H1         G   2  -1.036 -15.055  -4.112
   22   1H2     G   2          1H2         G   2  -1.848 -16.867  -1.244
   23   2H2     G   2          2H2         G   2  -0.590 -16.216  -2.271
   24   1H5*    C   3          1H5*        C   3  -6.128 -14.653   1.609
   25   2H5*    C   3          2H5*        C   3  -5.792 -13.301   2.711
   26    H4*    C   3           H4*        C   3  -3.734 -14.408   1.729
   27    H3*    C   3           H3*        C   3  -4.359 -11.462   1.465
   28    H2*    C   3           H2*        C   3  -2.705 -11.157  -0.115
   29   2HO*    C   3          2HO*        C   3  -0.692 -12.445   0.117
   30    H1*    C   3           H1*        C   3  -2.179 -14.002  -0.622
   31   1H4     C   3          1H4         C   3  -4.158 -11.079  -6.192
   32   2H4     C   3          2H4         C   3  -2.411 -10.941  -6.214
   33    H5     C   3           H5         C   3  -5.391 -11.930  -4.286
   34    H6     C   3           H6         C   3  -5.208 -12.793  -2.013
   35   1H5*    C   4          1H5*        C   4  -0.734 -11.267   1.855
   36   2H5*    C   4          2H5*        C   4  -0.072 -10.682   3.395
   37    H4*    C   4           H4*        C   4   0.982  -9.054   2.259
   38    H3*    C   4           H3*        C   4  -1.911  -8.279   1.841
   39    H2*    C   4           H2*        C   4  -1.487  -7.097  -0.046
   40   2HO*    C   4          2HO*        C   4   0.875  -6.121  -0.072
   41    H1*    C   4           H1*        C   4   1.238  -8.035  -0.514
   42   1H4     C   4          1H4         C   4  -3.161  -9.094  -5.347
   43   2H4     C   4          2H4         C   4  -1.624  -8.723  -6.099
   44    H5     C   4           H5         C   4  -3.459  -9.170  -2.915
   45    H6     C   4           H6         C   4  -2.328  -9.019  -0.775
   46   1H5*    G   5          1H5*        G   5   2.494  -6.942   0.906
   47   2H5*    G   5          2H5*        G   5   3.535  -5.822   1.803
   48    H4*    G   5           H4*        G   5   3.576  -4.684  -0.177
   49    H3*    G   5           H3*        G   5   0.834  -3.940   0.923
   50    H2*    G   5           H2*        G   5   0.593  -2.562  -0.990
   51   2HO*    G   5          2HO*        G   5   2.800  -2.694  -2.370
   52    H1*    G   5           H1*        G   5   1.875  -4.320  -2.750
   53    H8     G   5           H8         G   5  -0.971  -5.012  -0.195
   54    H1     G   5           H1         G   5  -2.912  -4.450  -6.231
   55   1H2     G   5          1H2         G   5   0.443  -3.861  -6.943
   56   2H2     G   5          2H2         G   5  -1.195  -3.988  -7.544
   57   1H5*    A   6          1H5*        A   6   4.266   0.986   0.074
   58   2H5*    A   6          2H5*        A   6   3.438   0.783  -1.484
   59    H4*    A   6           H4*        A   6   5.918  -0.696  -0.531
   60    H3*    A   6           H3*        A   6   5.377   1.571  -2.446
   61    H2*    A   6           H2*        A   6   6.814   0.676  -4.069
   62   2HO*    A   6          2HO*        A   6   7.931  -0.894  -1.954
   63    H1*    A   6           H1*        A   6   6.402  -2.030  -3.614
   64    H8     A   6           H8         A   6   2.970  -1.174  -3.940
   65   1H6     A   6          1H6         A   6   2.589  -0.131  -8.646
   66   2H6     A   6          2H6         A   6   3.764   0.245  -9.887
   67    H2     A   6           H2         A   6   7.810   0.089  -7.935
   68   1H5*    A   7          1H5*        A   7  10.449   4.201  -2.177
   69   2H5*    A   7          2H5*        A   7   8.797   4.737  -2.543
   70    H4*    A   7           H4*        A   7  10.601   2.901  -4.128
   71    H3*    A   7           H3*        A   7   9.028   5.441  -4.593
   72    H2*    A   7           H2*        A   7   8.417   4.772  -6.731
   73   2HO*    A   7          2HO*        A   7  10.790   3.182  -6.710
   74    H1*    A   7           H1*        A   7   8.735   1.950  -6.399
   75    H8     A   7           H8         A   7   6.059   2.740  -4.177
   76   1H6     A   7          1H6         A   7   2.318   2.890  -7.214
   77   2H6     A   7          2H6         A   7   2.193   3.126  -8.944
   78    H2     A   7           H2         A   7   6.373   3.546 -10.507
   79   1H5*    A   8          1H5*        A   8   9.600   4.656  -8.628
   80   2H5*    A   8          2H5*        A   8  10.788   5.842  -9.206
   81    H4*    A   8           H4*        A   8   8.935   6.665 -10.288
   82    H3*    A   8           H3*        A   8   9.350   7.945  -7.669
   83    H2*    A   8           H2*        A   8   7.155   8.127  -7.054
   84   2HO*    A   8          2HO*        A   8   6.080   9.037  -9.380
   85    H1*    A   8           H1*        A   8   5.955   7.146  -9.576
   86    H8     A   8           H8         A   8   6.711   6.375  -5.866
   87   1H6     A   8          1H6         A   8   2.319   4.756  -4.652
   88   2H6     A   8          2H6         A   8   0.850   4.488  -5.564
   89    H2     A   8           H2         A   8   1.779   5.521  -9.845
   90   1H5*    U   9          1H5*        U   9   7.844  12.278  -9.845
   91   2H5*    U   9          2H5*        U   9   7.537  10.749  -8.997
   92    H4*    U   9           H4*        U   9   5.634  11.762 -11.121
   93    H3*    U   9           H3*        U   9   6.134  12.983  -8.491
   94    H2*    U   9           H2*        U   9   4.205  12.350  -7.386
   95   2HO*    U   9          2HO*        U   9   3.100  13.458  -9.341
   96    H1*    U   9           H1*        U   9   3.294  10.174  -8.824
   97    H3     U   9           H3         U   9   4.005   7.594  -5.256
   98    H5     U   9           H5         U   9   7.190  10.344  -5.091
   99    H6     U   9           H6         U   9   6.389  11.257  -7.193
  100   1H5*    C  10          1H5*        C  10   4.667  16.199  -6.768
  101   2H5*    C  10          2H5*        C  10   5.030  14.546  -7.306
  102    H4*    C  10           H4*        C  10   2.235  15.224  -7.808
  103    H3*    C  10           H3*        C  10   3.371  15.743  -5.051
  104    H2*    C  10           H2*        C  10   1.650  14.544  -4.031
  105   2HO*    C  10          2HO*        C  10  -0.357  14.683  -4.721
  106    H1*    C  10           H1*        C  10   1.170  12.667  -6.055
  107   1H4     C  10          1H4         C  10   5.588  10.325  -1.738
  108   2H4     C  10          2H4         C  10   4.034   9.804  -1.127
  109    H5     C  10           H5         C  10   5.835  11.794  -3.634
  110    H6     C  10           H6         C  10   4.645  13.062  -5.359
  111   1H5*    C  11          1H5*        C  11  -0.808  13.970  -7.094
  112   2H5*    C  11          2H5*        C  11  -0.495  14.056  -8.838
  113    H4*    C  11           H4*        C  11  -1.912  16.236  -7.264
  114    H3*    C  11           H3*        C  11  -2.940  13.662  -8.037
  115    H2*    C  11           H2*        C  11  -3.986  14.075 -10.070
  116   2HO*    C  11          2HO*        C  11  -4.807  16.469 -10.247
  117    H1*    C  11           H1*        C  11  -2.957  16.437 -10.965
  118   1H4     C  11          1H4         C  11   0.294  11.344 -13.449
  119   2H4     C  11          2H4         C  11   0.687  12.709 -14.470
  120    H5     C  11           H5         C  11  -1.062  11.557 -11.460
  121    H6     C  11           H6         C  11  -2.174  13.047  -9.951
  122   1H5*    C  12          1H5*        C  12  -6.145  12.840  -8.622
  123   2H5*    C  12          2H5*        C  12  -6.065  14.379  -9.499
  124    H4*    C  12           H4*        C  12  -8.675  14.056  -8.293
  125    H3*    C  12           H3*        C  12  -7.758  11.526  -9.099
  126    H2*    C  12           H2*        C  12  -7.749  11.591 -11.386
  127   2HO*    C  12          2HO*        C  12  -9.716  11.452 -12.330
  128    H1*    C  12           H1*        C  12  -9.105  13.960 -12.047
  129   1H4     C  12          1H4         C  12  -2.743  13.797 -13.911
  130   2H4     C  12          2H4         C  12  -3.593  14.760 -15.098
  131    H5     C  12           H5         C  12  -3.816  12.857 -11.954
  132    H6     C  12           H6         C  12  -5.921  12.605 -10.766
  133   1H5*    G  13          1H5*        G  13  -8.296   9.786 -10.318
  134   2H5*    G  13          2H5*        G  13  -8.839   8.167  -9.835
  135    H4*    G  13           H4*        G  13  -6.360   8.433  -9.755
  136    H3*    G  13           H3*        G  13  -8.101   7.485  -7.588
  137    H2*    G  13           H2*        G  13  -6.845   8.079  -5.722
  138   2HO*    G  13          2HO*        G  13  -4.808   7.534  -5.754
  139    H1*    G  13           H1*        G  13  -5.633  10.360  -6.478
  140    H8     G  13           H8         G  13  -7.761  12.361  -7.190
  141    H1     G  13           H1         G  13 -11.485   8.560  -3.673
  142   1H2     G  13          1H2         G  13  -8.974   6.187  -4.140
  143   2H2     G  13          2H2         G  13 -10.535   6.567  -3.447
  144   1H5*    A  14          1H5*        A  14  -5.633   7.739 -12.608
  145   2H5*    A  14          2H5*        A  14  -5.788   5.995 -12.316
  146    H4*    A  14           H4*        A  14  -3.425   6.764 -12.766
  147    H3*    A  14           H3*        A  14  -4.352   5.114 -10.497
  148    H2*    A  14           H2*        A  14  -2.911   5.918  -8.918
  149   2HO*    A  14          2HO*        A  14  -0.577   5.927  -9.623
  150    H1*    A  14           H1*        A  14  -1.363   7.735 -10.629
  151    H8     A  14           H8         A  14  -4.485   8.848  -8.781
  152   1H6     A  14          1H6         A  14  -2.380  10.489  -4.731
  153   2H6     A  14          2H6         A  14  -0.751  10.370  -4.106
  154    H2     A  14           H2         A  14   1.642   8.055  -7.141
  155   1H5*    A  15          1H5*        A  15  -2.755   2.314 -10.193
  156   2H5*    A  15          2H5*        A  15  -3.491   0.971 -11.083
  157    H4*    A  15           H4*        A  15  -5.231   0.733  -9.528
  158    H3*    A  15           H3*        A  15  -5.563   3.410  -9.462
  159    H2*    A  15           H2*        A  15  -3.444   3.897  -8.413
  160   2HO*    A  15          2HO*        A  15  -3.982   4.538  -6.302
  161    H1*    A  15           H1*        A  15  -3.946   1.762  -6.349
  162    H8     A  15           H8         A  15  -1.252   3.033  -8.870
  163   1H6     A  15          1H6         A  15   2.552   2.731  -5.910
  164   2H6     A  15          2H6         A  15   2.723   2.308  -4.222
  165    H2     A  15           H2         A  15  -1.375   1.247  -2.722
  166   1H5*    G  16          1H5*        G  16  -8.736  -0.384  -8.154
  167   2H5*    G  16          2H5*        G  16  -9.084  -0.385  -6.414
  168    H4*    G  16           H4*        G  16  -6.305   0.225  -7.447
  169    H3*    G  16           H3*        G  16  -7.678  -2.316  -7.743
  170    H2*    G  16           H2*        G  16  -7.222  -3.066  -5.564
  171   2HO*    G  16          2HO*        G  16  -4.479  -3.098  -6.127
  172    H1*    G  16           H1*        G  16  -4.832  -1.210  -5.426
  173    H8     G  16           H8         G  16  -8.046  -2.029  -3.401
  174    H1     G  16           H1         G  16  -2.607  -2.308  -0.088
  175   1H2     G  16          1H2         G  16  -1.089  -1.519  -3.124
  176   2H2     G  16          2H2         G  16  -0.897  -1.858  -1.420
  177   1H5*    U  17          1H5*        U  17  -4.861  -2.491 -11.656
  178   2H5*    U  17          2H5*        U  17  -3.603  -3.742 -11.665
  179    H4*    U  17           H4*        U  17  -3.071  -1.368 -12.640
  180    H3*    U  17           H3*        U  17  -1.343  -3.046 -10.789
  181    H2*    U  17           H2*        U  17   0.317  -1.340 -10.832
  182   2HO*    U  17          2HO*        U  17  -1.192  -0.038 -12.880
  183    H1*    U  17           H1*        U  17  -1.364   0.792 -10.594
  184    H3     U  17           H3         U  17   1.309  -0.510  -6.973
  185    H5     U  17           H5         U  17  -2.717  -1.400  -6.120
  186    H6     U  17           H6         U  17  -3.218  -0.989  -8.463
  187   1H5*    A  18          1H5*        A  18   0.923  -2.570 -13.797
  188   2H5*    A  18          2H5*        A  18   1.735  -3.820 -14.761
  189    H4*    A  18           H4*        A  18   3.497  -2.661 -13.673
  190    H3*    A  18           H3*        A  18   2.746  -5.217 -12.204
  191    H2*    A  18           H2*        A  18   4.437  -4.769 -10.632
  192   2HO*    A  18          2HO*        A  18   6.097  -3.131 -11.186
  193    H1*    A  18           H1*        A  18   4.304  -1.945 -10.754
  194    H8     A  18           H8         A  18   0.928  -3.252  -9.965
  195   1H6     A  18          1H6         A  18   1.378  -3.957  -5.206
  196   2H6     A  18          2H6         A  18   2.760  -3.964  -4.135
  197    H2     A  18           H2         A  18   6.385  -3.213  -6.635
  198   1H5*    G  19          1H5*        G  19   6.415  -5.037 -12.370
  199   2H5*    G  19          2H5*        G  19   7.466  -6.390 -12.838
  200    H4*    G  19           H4*        G  19   8.085  -5.791 -10.600
  201    H3*    G  19           H3*        G  19   6.387  -8.297 -10.840
  202    H2*    G  19           H2*        G  19   6.411  -8.563  -8.499
  203   2HO*    G  19          2HO*        G  19   8.481  -6.591  -8.411
  204    H1*    G  19           H1*        G  19   6.200  -5.916  -7.787
  205    H8     G  19           H8         G  19   3.914  -6.914 -10.672
  206    H1     G  19           H1         G  19   1.465  -8.001  -4.895
  207   1H2     G  19          1H2         G  19   4.646  -7.217  -3.734
  208   2H2     G  19          2H2         G  19   3.002  -7.665  -3.340
  209   1H5*    G  20          1H5*        G  20   8.881  -8.683  -7.741
  210   2H5*    G  20          2H5*        G  20   9.788 -10.208  -7.769
  211    H4*    G  20           H4*        G  20   8.580 -10.031  -5.657
  212    H3*    G  20           H3*        G  20   7.710 -12.091  -7.680
  213    H2*    G  20           H2*        G  20   5.714 -12.447  -6.632
  214   2HO*    G  20          2HO*        G  20   5.804 -12.356  -4.154
  215    H1*    G  20           H1*        G  20   5.972 -10.259  -4.666
  216    H8     G  20           H8         G  20   4.560  -9.608  -8.112
  217    H1     G  20           H1         G  20   0.210 -11.621  -3.884
  218   1H2     G  20          1H2         G  20   2.949 -12.211  -1.827
  219   2H2     G  20          2H2         G  20   1.212 -12.271  -2.027
  220   1H5*    C  21          1H5*        C  21   8.340 -14.842  -3.260
  221   2H5*    C  21          2H5*        C  21   8.054 -16.310  -4.216
  222    H4*    C  21           H4*        C  21   6.420 -15.351  -2.182
  223    H3*    C  21           H3*        C  21   6.149 -17.378  -4.385
  224    H2*    C  21           H2*        C  21   3.876 -17.073  -4.559
  225   2HO*    C  21          2HO*        C  21   3.424 -16.780  -1.811
  226    H1*    C  21           H1*        C  21   3.731 -14.942  -2.486
  227   1H4     C  21          1H4         C  21   0.428 -12.723  -7.650
  228   2H4     C  21          2H4         C  21  -0.806 -13.439  -6.638
  229    H5     C  21           H5         C  21   2.791 -12.912  -7.166
  230    H6     C  21           H6         C  21   4.458 -13.841  -5.686
  231   1H5*    C  22          1H5*        C  22   4.311 -21.570  -1.739
  232   2H5*    C  22          2H5*        C  22   3.917 -21.196  -3.427
  233    H4*    C  22           H4*        C  22   2.151 -21.409  -1.079
  234    H3*    C  22           H3*        C  22   1.878 -21.468  -4.102
  235    H2*    C  22           H2*        C  22  -0.435 -21.160  -3.887
  236   2HO*    C  22          2HO*        C  22  -1.498 -22.003  -2.263
  237    H1*    C  22           H1*        C  22  -0.331 -19.355  -1.785
  238   1H4     C  22          1H4         C  22   0.558 -15.951  -7.373
  239   2H4     C  22          2H4         C  22  -1.176 -16.167  -7.268
  240    H5     C  22           H5         C  22   2.110 -16.978  -5.849
  241    H6     C  22           H6         C  22   2.341 -18.443  -3.896
  242    H3T    C  22           H3T        C  22   1.140 -23.537  -3.629
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1 -11.173 -17.072  -9.903
    2   2H5*    G   1          2H5*        G   1 -12.534 -16.832  -8.789
    3    H4*    G   1           H4*        G   1 -11.049 -17.723  -7.287
    4    H3*    G   1           H3*        G   1 -10.588 -14.757  -7.425
    5    H2*    G   1           H2*        G   1  -8.443 -14.893  -6.625
    6   2HO*    G   1          2HO*        G   1  -9.772 -16.534  -4.780
    7    H1*    G   1           H1*        G   1  -8.246 -17.836  -6.599
    8    H8     G   1           H8         G   1  -7.607 -15.409  -9.500
    9    H1     G   1           H1         G   1  -2.331 -17.190  -6.399
   10   1H2     G   1          1H2         G   1  -4.529 -18.780  -4.211
   11   2H2     G   1          2H2         G   1  -2.872 -18.404  -4.624
   12    H5T    G   1           H5T        G   1 -11.522 -15.021 -10.242
   13   1H5*    G   2          1H5*        G   2 -10.582 -13.627  -2.071
   14   2H5*    G   2          2H5*        G   2  -9.452 -13.810  -3.427
   15    H4*    G   2           H4*        G   2  -9.781 -15.797  -1.143
   16    H3*    G   2           H3*        G   2  -7.951 -13.437  -1.568
   17    H2*    G   2           H2*        G   2  -6.048 -14.666  -0.925
   18   2HO*    G   2          2HO*        G   2  -6.147 -16.227   0.525
   19    H1*    G   2           H1*        G   2  -6.595 -17.026  -2.135
   20    H8     G   2           H8         G   2  -7.729 -14.515  -4.595
   21    H1     G   2           H1         G   2  -1.367 -14.758  -4.258
   22   1H2     G   2          1H2         G   2  -1.898 -16.605  -1.351
   23   2H2     G   2          2H2         G   2  -0.745 -15.880  -2.449
   24   1H5*    C   3          1H5*        C   3  -5.954 -14.293   2.783
   25   2H5*    C   3          2H5*        C   3  -5.630 -12.548   2.762
   26    H4*    C   3           H4*        C   3  -3.749 -14.566   2.359
   27    H3*    C   3           H3*        C   3  -3.831 -11.587   1.795
   28    H2*    C   3           H2*        C   3  -1.944 -11.744   0.448
   29   2HO*    C   3          2HO*        C   3  -0.645 -13.923   0.990
   30    H1*    C   3           H1*        C   3  -2.096 -14.561  -0.124
   31   1H4     C   3          1H4         C   3  -3.674 -11.037  -5.461
   32   2H4     C   3          2H4         C   3  -1.925 -11.026  -5.465
   33    H5     C   3           H5         C   3  -4.980 -11.919  -3.627
   34    H6     C   3           H6         C   3  -4.900 -12.958  -1.437
   35   1H5*    C   4          1H5*        C   4   0.333 -11.929   1.209
   36   2H5*    C   4          2H5*        C   4   0.800 -11.712   2.907
   37    H4*    C   4           H4*        C   4   1.992  -9.899   2.334
   38    H3*    C   4           H3*        C   4  -0.771  -8.941   1.565
   39    H2*    C   4           H2*        C   4   0.133  -7.195   0.277
   40   2HO*    C   4          2HO*        C   4   2.473  -6.707   0.563
   41    H1*    C   4           H1*        C   4   2.399  -8.417  -0.681
   42   1H4     C   4          1H4         C   4  -2.731  -9.411  -4.756
   43   2H4     C   4          2H4         C   4  -1.397  -8.803  -5.713
   44    H5     C   4           H5         C   4  -2.577  -9.812  -2.383
   45    H6     C   4           H6         C   4  -1.126  -9.679  -0.415
   46   1H5*    G   5          1H5*        G   5   1.890  -4.858   2.780
   47   2H5*    G   5          2H5*        G   5   0.634  -3.803   2.110
   48    H4*    G   5           H4*        G   5   3.035  -4.726   0.853
   49    H3*    G   5           H3*        G   5   0.725  -2.913   0.148
   50    H2*    G   5           H2*        G   5   1.195  -3.089  -2.163
   51   2HO*    G   5          2HO*        G   5   3.155  -3.907  -2.946
   52    H1*    G   5           H1*        G   5   1.651  -5.704  -2.355
   53    H8     G   5           H8         G   5  -0.967  -5.390   0.312
   54    H1     G   5           H1         G   5  -3.389  -4.408  -5.495
   55   1H2     G   5          1H2         G   5  -0.067  -4.135  -6.499
   56   2H2     G   5          2H2         G   5  -1.756  -4.078  -6.954
   57   1H5*    A   6          1H5*        A   6   2.718   1.071  -1.298
   58   2H5*    A   6          2H5*        A   6   1.965  -0.535  -1.310
   59    H4*    A   6           H4*        A   6   4.626  -1.030  -0.575
   60    H3*    A   6           H3*        A   6   4.461   1.274  -2.538
   61    H2*    A   6           H2*        A   6   6.100   0.275  -3.911
   62   2HO*    A   6          2HO*        A   6   6.974  -0.673  -1.524
   63    H1*    A   6           H1*        A   6   5.345  -2.351  -3.646
   64    H8     A   6           H8         A   6   2.069  -1.201  -4.280
   65   1H6     A   6          1H6         A   6   2.254   0.049  -8.940
   66   2H6     A   6          2H6         A   6   3.578   0.417 -10.024
   67    H2     A   6           H2         A   6   7.370  -0.098  -7.665
   68   1H5*    A   7          1H5*        A   7   9.958   3.022  -1.523
   69   2H5*    A   7          2H5*        A   7   8.552   4.000  -1.987
   70    H4*    A   7           H4*        A   7  10.144   2.038  -3.604
   71    H3*    A   7           H3*        A   7   8.886   4.768  -3.976
   72    H2*    A   7           H2*        A   7   8.417   4.324  -6.205
   73   2HO*    A   7          2HO*        A   7  10.379   2.285  -6.366
   74    H1*    A   7           H1*        A   7   8.499   1.450  -6.064
   75    H8     A   7           H8         A   7   5.619   2.370  -4.112
   76   1H6     A   7          1H6         A   7   2.297   2.847  -7.572
   77   2H6     A   7          2H6         A   7   2.397   3.119  -9.298
   78    H2     A   7           H2         A   7   6.757   3.264 -10.339
   79   1H5*    A   8          1H5*        A   8  10.335   4.507  -8.174
   80   2H5*    A   8          2H5*        A   8  11.443   5.892  -8.083
   81    H4*    A   8           H4*        A   8   9.725   6.599  -9.553
   82    H3*    A   8           H3*        A   8   9.788   7.728  -6.842
   83    H2*    A   8           H2*        A   8   7.531   7.824  -6.489
   84   2HO*    A   8          2HO*        A   8   7.128   8.988  -9.028
   85    H1*    A   8           H1*        A   8   6.679   7.063  -9.205
   86    H8     A   8           H8         A   8   7.018   5.874  -5.545
   87   1H6     A   8          1H6         A   8   2.433   4.434  -4.936
   88   2H6     A   8          2H6         A   8   1.060   4.344  -6.017
   89    H2     A   8           H2         A   8   2.456   5.876 -10.012
   90   1H5*    U   9          1H5*        U   9   8.766  12.618  -8.370
   91   2H5*    U   9          2H5*        U   9   8.237  12.577  -6.678
   92    H4*    U   9           H4*        U   9   6.622  12.802  -9.033
   93    H3*    U   9           H3*        U   9   6.245  12.992  -6.096
   94    H2*    U   9           H2*        U   9   4.247  11.834  -5.910
   95   2HO*    U   9          2HO*        U   9   2.633  12.226  -7.256
   96    H1*    U   9           H1*        U   9   4.247  10.169  -8.078
   97    H3     U   9           H3         U   9   4.400   7.057  -4.856
   98    H5     U   9           H5         U   9   7.733   9.495  -4.006
   99    H6     U   9           H6         U   9   7.089  10.873  -5.902
  100   1H5*    C  10          1H5*        C  10   2.599  13.548 -10.035
  101   2H5*    C  10          2H5*        C  10   4.247  13.471  -9.382
  102    H4*    C  10           H4*        C  10   2.904  15.681 -10.928
  103    H3*    C  10           H3*        C  10   5.471  14.088 -11.070
  104    H2*    C  10           H2*        C  10   6.694  15.943 -11.807
  105   2HO*    C  10          2HO*        C  10   4.158  16.850 -12.691
  106    H1*    C  10           H1*        C  10   5.340  17.954 -10.451
  107   1H4     C  10          1H4         C  10  10.119  15.590  -6.556
  108   2H4     C  10          2H4         C  10  10.705  17.120  -7.169
  109    H5     C  10           H5         C  10   8.029  14.599  -7.252
  110    H6     C  10           H6         C  10   6.055  14.877  -8.686
  111   1H5*    C  11          1H5*        C  11   3.138  16.237 -16.066
  112   2H5*    C  11          2H5*        C  11   4.113  16.671 -14.648
  113    H4*    C  11           H4*        C  11   2.516  15.707 -13.145
  114    H3*    C  11           H3*        C  11   1.870  13.981 -15.356
  115    H2*    C  11           H2*        C  11  -0.262  14.675 -16.003
  116   2HO*    C  11          2HO*        C  11  -1.223  15.844 -13.762
  117    H1*    C  11           H1*        C  11  -0.535  17.192 -15.056
  118   1H4     C  11          1H4         C  11   1.924  17.357 -21.098
  119   2H4     C  11          2H4         C  11   1.520  19.015 -20.714
  120    H5     C  11           H5         C  11   1.776  15.574 -19.476
  121    H6     C  11           H6         C  11   1.342  14.977 -17.196
  122   1H5*    C  12          1H5*        C  12  -1.477  11.067 -15.081
  123   2H5*    C  12          2H5*        C  12  -1.249  12.741 -15.625
  124    H4*    C  12           H4*        C  12  -3.572  11.631 -14.007
  125    H3*    C  12           H3*        C  12  -3.117  12.153 -16.863
  126    H2*    C  12           H2*        C  12  -4.489  13.975 -17.146
  127   2HO*    C  12          2HO*        C  12  -6.364  13.336 -15.192
  128    H1*    C  12           H1*        C  12  -5.154  14.705 -14.483
  129   1H4     C  12          1H4         C  12  -1.193  18.983 -17.638
  130   2H4     C  12          2H4         C  12  -2.290  19.921 -16.651
  131    H5     C  12           H5         C  12  -1.198  16.572 -17.696
  132    H6     C  12           H6         C  12  -2.275  14.545 -16.832
  133   1H5*    G  13          1H5*        G  13  -6.706   9.121 -13.678
  134   2H5*    G  13          2H5*        G  13  -5.752  10.570 -14.057
  135    H4*    G  13           H4*        G  13  -4.309   8.295 -12.792
  136    H3*    G  13           H3*        G  13  -6.543   9.810 -11.496
  137    H2*    G  13           H2*        G  13  -5.324  10.358  -9.594
  138   2HO*    G  13          2HO*        G  13  -3.486   9.210  -8.972
  139    H1*    G  13           H1*        G  13  -2.856  10.772 -10.750
  140    H8     G  13           H8         G  13  -3.064  13.234 -12.389
  141    H1     G  13           H1         G  13  -8.236  14.408  -8.854
  142   1H2     G  13          1H2         G  13  -8.096  11.014  -8.072
  143   2H2     G  13          2H2         G  13  -8.903  12.549  -7.843
  144   1H5*    A  14          1H5*        A  14  -3.423   6.777 -14.047
  145   2H5*    A  14          2H5*        A  14  -4.236   5.233 -13.720
  146    H4*    A  14           H4*        A  14  -1.938   4.679 -13.794
  147    H3*    A  14           H3*        A  14  -3.228   4.762 -11.143
  148    H2*    A  14           H2*        A  14  -1.402   5.267  -9.838
  149   2HO*    A  14          2HO*        A  14  -0.459   3.231 -10.480
  150    H1*    A  14           H1*        A  14   0.473   6.227 -11.692
  151    H8     A  14           H8         A  14  -2.612   8.419 -11.635
  152   1H6     A  14          1H6         A  14  -1.436  11.294  -7.961
  153   2H6     A  14          2H6         A  14  -0.185  11.234  -6.739
  154    H2     A  14           H2         A  14   2.182   7.489  -7.489
  155   1H5*    A  15          1H5*        A  15  -4.678   3.586 -10.282
  156   2H5*    A  15          2H5*        A  15  -3.073   3.002  -9.772
  157    H4*    A  15           H4*        A  15  -5.493   1.343  -9.118
  158    H3*    A  15           H3*        A  15  -5.732   3.953  -8.419
  159    H2*    A  15           H2*        A  15  -3.484   4.170  -7.551
  160   2HO*    A  15          2HO*        A  15  -3.929   4.710  -5.525
  161    H1*    A  15           H1*        A  15  -3.883   1.614  -5.999
  162    H8     A  15           H8         A  15  -1.244   2.674  -8.612
  163   1H6     A  15          1H6         A  15   2.633   2.526  -5.739
  164   2H6     A  15          2H6         A  15   2.839   2.270  -4.020
  165    H2     A  15           H2         A  15  -1.261   1.635  -2.294
  166   1H5*    G  16          1H5*        G  16  -9.153   0.398  -6.996
  167   2H5*    G  16          2H5*        G  16  -9.211   0.217  -5.231
  168    H4*    G  16           H4*        G  16  -6.585   0.452  -6.742
  169    H3*    G  16           H3*        G  16  -8.460  -1.810  -6.738
  170    H2*    G  16           H2*        G  16  -7.508  -2.891  -4.908
  171   2HO*    G  16          2HO*        G  16  -6.024  -3.360  -7.059
  172    H1*    G  16           H1*        G  16  -4.981  -1.253  -5.119
  173    H8     G  16           H8         G  16  -7.868  -2.129  -2.663
  174    H1     G  16           H1         G  16  -2.002  -2.498  -0.188
  175   1H2     G  16          1H2         G  16  -0.937  -1.565  -3.374
  176   2H2     G  16          2H2         G  16  -0.495  -1.980  -1.733
  177   1H5*    U  17          1H5*        U  17  -5.290  -3.512 -11.234
  178   2H5*    U  17          2H5*        U  17  -4.642  -3.013  -9.659
  179    H4*    U  17           H4*        U  17  -4.559  -1.402 -12.241
  180    H3*    U  17           H3*        U  17  -2.577  -3.121 -10.748
  181    H2*    U  17           H2*        U  17  -0.860  -1.540 -10.982
  182   2HO*    U  17          2HO*        U  17  -1.946  -1.174 -13.339
  183    H1*    U  17           H1*        U  17  -2.319   0.778 -10.699
  184    H3     U  17           H3         U  17   0.812  -0.300  -7.432
  185    H5     U  17           H5         U  17  -2.980  -1.418  -5.993
  186    H6     U  17           H6         U  17  -3.857  -1.037  -8.225
  187   1H5*    A  18          1H5*        A  18   0.783  -2.555 -14.376
  188   2H5*    A  18          2H5*        A  18   0.993  -4.286 -14.046
  189    H4*    A  18           H4*        A  18   2.854  -2.397 -13.426
  190    H3*    A  18           H3*        A  18   2.170  -5.023 -12.042
  191    H2*    A  18           H2*        A  18   3.903  -4.573 -10.501
  192   2HO*    A  18          2HO*        A  18   4.854  -2.437 -12.122
  193    H1*    A  18           H1*        A  18   3.558  -1.792 -10.435
  194    H8     A  18           H8         A  18   0.213  -3.008  -9.727
  195   1H6     A  18          1H6         A  18   0.663  -4.325  -5.098
  196   2H6     A  18          2H6         A  18   2.047  -4.609  -4.068
  197    H2     A  18           H2         A  18   5.693  -3.939  -6.555
  198   1H5*    G  19          1H5*        G  19   6.946  -6.278 -13.307
  199   2H5*    G  19          2H5*        G  19   5.237  -6.169 -12.843
  200    H4*    G  19           H4*        G  19   7.529  -5.210 -11.081
  201    H3*    G  19           H3*        G  19   6.105  -7.892 -11.266
  202    H2*    G  19           H2*        G  19   6.247  -8.075  -8.914
  203   2HO*    G  19          2HO*        G  19   7.658  -5.772  -8.379
  204    H1*    G  19           H1*        G  19   5.719  -5.435  -8.341
  205    H8     G  19           H8         G  19   3.377  -6.667 -11.033
  206    H1     G  19           H1         G  19   1.440  -8.008  -5.114
  207   1H2     G  19          1H2         G  19   4.662  -7.072  -4.182
  208   2H2     G  19          2H2         G  19   3.092  -7.658  -3.680
  209   1H5*    G  20          1H5*        G  20   9.964  -9.406  -7.713
  210   2H5*    G  20          2H5*        G  20   9.205 -10.688  -8.672
  211    H4*    G  20           H4*        G  20   8.679  -9.934  -5.947
  212    H3*    G  20           H3*        G  20   7.692 -12.042  -7.893
  213    H2*    G  20           H2*        G  20   5.775 -12.320  -6.682
  214   2HO*    G  20          2HO*        G  20   7.547 -12.711  -4.794
  215    H1*    G  20           H1*        G  20   6.114  -9.936  -4.996
  216    H8     G  20           H8         G  20   4.680  -9.382  -8.401
  217    H1     G  20           H1         G  20   0.343 -11.405  -4.175
  218   1H2     G  20          1H2         G  20   3.093 -12.070  -2.151
  219   2H2     G  20          2H2         G  20   1.354 -12.103  -2.336
  220   1H5*    C  21          1H5*        C  21   8.204 -14.217  -3.238
  221   2H5*    C  21          2H5*        C  21   8.191 -15.830  -3.978
  222    H4*    C  21           H4*        C  21   6.376 -15.069  -2.141
  223    H3*    C  21           H3*        C  21   6.255 -16.974  -4.462
  224    H2*    C  21           H2*        C  21   3.971 -16.787  -4.665
  225   2HO*    C  21          2HO*        C  21   3.797 -16.821  -1.815
  226    H1*    C  21           H1*        C  21   3.672 -14.770  -2.498
  227   1H4     C  21          1H4         C  21   0.421 -12.527  -7.699
  228   2H4     C  21          2H4         C  21  -0.816 -13.273  -6.712
  229    H5     C  21           H5         C  21   2.777 -12.679  -7.180
  230    H6     C  21           H6         C  21   4.437 -13.551  -5.661
  231   1H5*    C  22          1H5*        C  22   4.392 -20.889  -1.114
  232   2H5*    C  22          2H5*        C  22   4.136 -21.294  -2.823
  233    H4*    C  22           H4*        C  22   2.164 -20.869  -0.797
  234    H3*    C  22           H3*        C  22   2.142 -21.376  -3.787
  235    H2*    C  22           H2*        C  22  -0.160 -20.972  -3.834
  236   2HO*    C  22          2HO*        C  22  -1.471 -21.311  -2.137
  237    H1*    C  22           H1*        C  22  -0.187 -18.971  -1.874
  238   1H4     C  22          1H4         C  22   0.806 -16.029  -7.693
  239   2H4     C  22          2H4         C  22  -0.929 -16.225  -7.590
  240    H5     C  22           H5         C  22   2.338 -16.980  -6.099
  241    H6     C  22           H6         C  22   2.537 -18.295  -4.036
  242    H3T    C  22           H3T        C  22   0.717 -23.092  -2.383
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1 -10.872 -15.943 -10.744
    2   2H5*    G   1          2H5*        G   1 -12.257 -16.176  -9.660
    3    H4*    G   1           H4*        G   1 -10.681 -17.230  -8.375
    4    H3*    G   1           H3*        G   1 -10.585 -14.293  -7.748
    5    H2*    G   1           H2*        G   1  -8.430 -14.378  -6.950
    6   2HO*    G   1          2HO*        G   1  -8.474 -16.902  -5.827
    7    H1*    G   1           H1*        G   1  -7.918 -17.207  -7.642
    8    H8     G   1           H8         G   1  -7.483 -14.060  -9.806
    9    H1     G   1           H1         G   1  -2.083 -16.207  -7.190
   10   1H2     G   1          1H2         G   1  -4.156 -18.460  -5.522
   11   2H2     G   1          2H2         G   1  -2.529 -17.874  -5.795
   12    H5T    G   1           H5T        G   1 -12.370 -14.111  -9.503
   13   1H5*    G   2          1H5*        G   2 -11.414 -16.084  -2.105
   14   2H5*    G   2          2H5*        G   2 -10.659 -14.546  -2.567
   15    H4*    G   2           H4*        G   2  -9.459 -16.936  -1.348
   16    H3*    G   2           H3*        G   2  -8.786 -13.992  -1.658
   17    H2*    G   2           H2*        G   2  -6.519 -14.437  -1.346
   18   2HO*    G   2          2HO*        G   2  -6.941 -15.596   0.645
   19    H1*    G   2           H1*        G   2  -6.449 -17.069  -2.357
   20    H8     G   2           H8         G   2  -7.821 -14.622  -4.854
   21    H1     G   2           H1         G   2  -1.450 -14.538  -4.543
   22   1H2     G   2          1H2         G   2  -1.873 -16.488  -1.684
   23   2H2     G   2          2H2         G   2  -0.762 -15.693  -2.777
   24   1H5*    C   3          1H5*        C   3  -6.273 -13.463   3.048
   25   2H5*    C   3          2H5*        C   3  -6.324 -12.291   1.716
   26    H4*    C   3           H4*        C   3  -4.264 -14.434   2.282
   27    H3*    C   3           H3*        C   3  -4.345 -11.440   2.040
   28    H2*    C   3           H2*        C   3  -2.621 -11.349   0.516
   29   2HO*    C   3          2HO*        C   3  -1.390 -12.347   2.490
   30    H1*    C   3           H1*        C   3  -2.371 -14.233   0.030
   31   1H4     C   3          1H4         C   3  -3.697 -11.087  -5.615
   32   2H4     C   3          2H4         C   3  -1.951 -11.037  -5.510
   33    H5     C   3           H5         C   3  -5.105 -11.902  -3.832
   34    H6     C   3           H6         C   3  -5.145 -12.806  -1.570
   35   1H5*    C   4          1H5*        C   4   0.357 -11.728   2.485
   36   2H5*    C   4          2H5*        C   4   0.274 -10.868   4.037
   37    H4*    C   4           H4*        C   4   1.581  -9.412   2.784
   38    H3*    C   4           H3*        C   4  -1.344  -8.695   2.628
   39    H2*    C   4           H2*        C   4  -1.144  -7.405   0.788
   40   2HO*    C   4          2HO*        C   4   1.440  -6.496   1.112
   41    H1*    C   4           H1*        C   4   1.599  -8.115   0.054
   42   1H4     C   4          1H4         C   4  -3.032  -9.277  -4.528
   43   2H4     C   4          2H4         C   4  -1.560  -8.829  -5.368
   44    H5     C   4           H5         C   4  -3.177  -9.393  -2.091
   45    H6     C   4           H6         C   4  -1.930  -9.251  -0.024
   46   1H5*    G   5          1H5*        G   5   3.411  -4.999   2.947
   47   2H5*    G   5          2H5*        G   5   1.672  -4.711   2.758
   48    H4*    G   5           H4*        G   5   3.822  -4.906   0.669
   49    H3*    G   5           H3*        G   5   1.396  -3.168   1.244
   50    H2*    G   5           H2*        G   5   1.165  -2.721  -1.047
   51   2HO*    G   5          2HO*        G   5   2.905  -3.013  -2.513
   52    H1*    G   5           H1*        G   5   2.077  -5.178  -2.041
   53    H8     G   5           H8         G   5  -0.628  -5.288   0.657
   54    H1     G   5           H1         G   5  -2.976  -4.441  -5.199
   55   1H2     G   5          1H2         G   5   0.355  -4.101  -6.156
   56   2H2     G   5          2H2         G   5  -1.328  -4.088  -6.635
   57   1H5*    A   6          1H5*        A   6   2.470   1.394  -0.669
   58   2H5*    A   6          2H5*        A   6   1.914   0.312  -1.962
   59    H4*    A   6           H4*        A   6   4.635   0.047  -0.636
   60    H3*    A   6           H3*        A   6   3.770   1.648  -3.069
   61    H2*    A   6           H2*        A   6   5.915   1.122  -4.024
   62   2HO*    A   6          2HO*        A   6   6.686  -0.328  -1.720
   63    H1*    A   6           H1*        A   6   5.803  -1.514  -3.465
   64    H8     A   6           H8         A   6   2.266  -0.883  -4.187
   65   1H6     A   6          1H6         A   6   2.350  -0.304  -8.997
   66   2H6     A   6          2H6         A   6   3.649  -0.077 -10.144
   67    H2     A   6           H2         A   6   7.479  -0.029  -7.800
   68   1H5*    A   7          1H5*        A   7   8.031   4.435  -1.593
   69   2H5*    A   7          2H5*        A   7   6.557   3.990  -2.475
   70    H4*    A   7           H4*        A   7   9.440   3.489  -3.295
   71    H3*    A   7           H3*        A   7   7.109   5.110  -4.407
   72    H2*    A   7           H2*        A   7   8.065   4.806  -6.574
   73   2HO*    A   7          2HO*        A   7  10.320   3.475  -5.481
   74    H1*    A   7           H1*        A   7   8.662   2.154  -6.261
   75    H8     A   7           H8         A   7   5.336   3.025  -4.645
   76   1H6     A   7          1H6         A   7   2.471   2.582  -8.487
   77   2H6     A   7          2H6         A   7   2.777   2.415 -10.202
   78    H2     A   7           H2         A   7   7.245   2.315 -10.714
   79   1H5*    A   8          1H5*        A   8  10.301   5.945  -6.264
   80   2H5*    A   8          2H5*        A   8  10.544   7.565  -6.949
   81    H4*    A   8           H4*        A   8  10.298   5.739  -8.673
   82    H3*    A   8           H3*        A   8   8.823   8.279  -8.531
   83    H2*    A   8           H2*        A   8   6.840   7.589  -9.396
   84   2HO*    A   8          2HO*        A   8   8.489   6.286 -11.332
   85    H1*    A   8           H1*        A   8   7.378   4.771  -9.815
   86    H8     A   8           H8         A   8   6.512   6.345  -6.552
   87   1H6     A   8          1H6         A   8   1.723   5.591  -6.532
   88   2H6     A   8          2H6         A   8   0.599   5.130  -7.790
   89    H2     A   8           H2         A   8   3.024   4.523 -11.542
   90   1H5*    U   9          1H5*        U   9   7.532   8.022 -13.233
   91   2H5*    U   9          2H5*        U   9   8.644   9.385 -13.474
   92    H4*    U   9           H4*        U   9   6.992  10.968 -13.183
   93    H3*    U   9           H3*        U   9   6.199   9.320 -10.953
   94    H2*    U   9           H2*        U   9   4.034   8.666 -11.488
   95   2HO*    U   9          2HO*        U   9   3.299  10.596 -13.254
   96    H1*    U   9           H1*        U   9   3.828   8.871 -14.161
   97    H3     U   9           H3         U   9   5.351   4.824 -15.517
   98    H5     U   9           H5         U   9   6.267   5.024 -11.422
   99    H6     U   9           H6         U   9   5.613   7.334 -11.435
  100   1H5*    C  10          1H5*        C  10   3.643  12.028 -11.490
  101   2H5*    C  10          2H5*        C  10   3.715  13.789 -11.258
  102    H4*    C  10           H4*        C  10   1.722  13.839 -10.038
  103    H3*    C  10           H3*        C  10   2.566  11.117  -9.182
  104    H2*    C  10           H2*        C  10   0.555  10.070  -9.564
  105   2HO*    C  10          2HO*        C  10  -1.419  11.661  -9.338
  106    H1*    C  10           H1*        C  10  -0.787  11.995 -11.171
  107   1H4     C  10          1H4         C  10   1.073   6.577 -14.481
  108   2H4     C  10          2H4         C  10  -0.545   6.969 -15.015
  109    H5     C  10           H5         C  10   2.263   7.863 -12.814
  110    H6     C  10           H6         C  10   2.151   9.815 -11.331
  111   1H5*    C  11          1H5*        C  11   1.217  14.367  -7.110
  112   2H5*    C  11          2H5*        C  11   2.599  14.730  -6.058
  113    H4*    C  11           H4*        C  11   0.963  15.195  -4.196
  114    H3*    C  11           H3*        C  11  -0.938  14.144  -6.157
  115    H2*    C  11           H2*        C  11  -2.187  16.022  -6.636
  116   2HO*    C  11          2HO*        C  11  -1.356  17.083  -4.117
  117    H1*    C  11           H1*        C  11  -0.476  18.093  -6.335
  118   1H4     C  11          1H4         C  11   0.061  15.716 -12.398
  119   2H4     C  11          2H4         C  11   1.763  15.636 -12.007
  120    H5     C  11           H5         C  11  -1.638  16.216 -10.765
  121    H6     C  11           H6         C  11  -2.080  16.866  -8.471
  122   1H5*    C  12          1H5*        C  12  -3.691  13.617  -6.046
  123   2H5*    C  12          2H5*        C  12  -3.760  15.243  -5.335
  124    H4*    C  12           H4*        C  12  -6.068  14.437  -4.370
  125    H3*    C  12           H3*        C  12  -5.282  12.173  -6.010
  126    H2*    C  12           H2*        C  12  -6.640  12.402  -7.822
  127   2HO*    C  12          2HO*        C  12  -8.451  12.746  -5.785
  128    H1*    C  12           H1*        C  12  -7.662  14.982  -7.644
  129   1H4     C  12          1H4         C  12  -2.580  14.467 -11.864
  130   2H4     C  12          2H4         C  12  -3.998  14.136 -12.834
  131    H5     C  12           H5         C  12  -2.666  14.800  -9.467
  132    H6     C  12           H6         C  12  -4.127  14.969  -7.545
  133   1H5*    G  13          1H5*        G  13  -9.173  10.747  -7.357
  134   2H5*    G  13          2H5*        G  13  -8.487   9.112  -7.411
  135    H4*    G  13           H4*        G  13  -8.600  10.803  -9.556
  136    H3*    G  13           H3*        G  13  -7.048   8.372  -8.838
  137    H2*    G  13           H2*        G  13  -5.202   8.764 -10.211
  138   2HO*    G  13          2HO*        G  13  -6.591   9.290 -12.061
  139    H1*    G  13           H1*        G  13  -4.866  11.399  -9.923
  140    H8     G  13           H8         G  13  -3.619  11.932  -7.642
  141    H1     G  13           H1         G  13  -4.596   5.993  -5.566
  142   1H2     G  13          1H2         G  13  -6.842   5.774  -8.220
  143   2H2     G  13          2H2         G  13  -6.106   4.990  -6.841
  144   1H5*    A  14          1H5*        A  14  -6.021   5.457 -11.203
  145   2H5*    A  14          2H5*        A  14  -5.228   6.574 -10.075
  146    H4*    A  14           H4*        A  14  -4.342   6.248 -12.961
  147    H3*    A  14           H3*        A  14  -4.018   4.388 -10.745
  148    H2*    A  14           H2*        A  14  -1.928   4.985 -10.036
  149   2HO*    A  14          2HO*        A  14  -1.535   4.249 -12.675
  150    H1*    A  14           H1*        A  14  -1.242   6.976 -12.039
  151    H8     A  14           H8         A  14  -3.222   7.800  -8.910
  152   1H6     A  14          1H6         A  14   0.434   9.084  -6.022
  153   2H6     A  14          2H6         A  14   2.174   9.033  -6.206
  154    H2     A  14           H2         A  14   2.996   7.206 -10.235
  155   1H5*    A  15          1H5*        A  15  -3.007   2.154 -10.512
  156   2H5*    A  15          2H5*        A  15  -3.942   0.730 -11.019
  157    H4*    A  15           H4*        A  15  -5.329   0.809  -9.139
  158    H3*    A  15           H3*        A  15  -5.540   3.512  -9.493
  159    H2*    A  15           H2*        A  15  -3.335   4.046  -8.690
  160   2HO*    A  15          2HO*        A  15  -3.760   5.172  -6.902
  161    H1*    A  15           H1*        A  15  -3.732   2.134  -6.391
  162    H8     A  15           H8         A  15  -1.056   2.815  -9.170
  163   1H6     A  15          1H6         A  15   2.775   2.983  -6.219
  164   2H6     A  15          2H6         A  15   2.944   2.938  -4.479
  165    H2     A  15           H2         A  15  -1.173   2.477  -2.774
  166   1H5*    G  16          1H5*        G  16  -8.693   0.147  -5.827
  167   2H5*    G  16          2H5*        G  16  -7.742   1.628  -5.607
  168    H4*    G  16           H4*        G  16  -5.950   0.257  -7.038
  169    H3*    G  16           H3*        G  16  -7.944  -1.781  -6.474
  170    H2*    G  16           H2*        G  16  -7.050  -2.392  -4.396
  171   2HO*    G  16          2HO*        G  16  -5.728  -3.603  -6.406
  172    H1*    G  16           H1*        G  16  -4.352  -1.272  -5.181
  173    H8     G  16           H8         G  16  -7.044  -1.460  -2.418
  174    H1     G  16           H1         G  16  -1.044  -1.227  -0.274
  175   1H2     G  16          1H2         G  16  -0.186  -0.891  -3.637
  176   2H2     G  16          2H2         G  16   0.358  -0.986  -1.976
  177   1H5*    U  17          1H5*        U  17  -4.290  -4.109  -9.845
  178   2H5*    U  17          2H5*        U  17  -4.226  -2.761  -8.693
  179    H4*    U  17           H4*        U  17  -4.143  -2.205 -11.658
  180    H3*    U  17           H3*        U  17  -1.951  -3.428  -9.975
  181    H2*    U  17           H2*        U  17  -0.352  -1.882 -10.796
  182   2HO*    U  17          2HO*        U  17  -2.261  -0.953 -12.706
  183    H1*    U  17           H1*        U  17  -1.853   0.364 -10.722
  184    H3     U  17           H3         U  17   1.445  -0.195  -7.494
  185    H5     U  17           H5         U  17  -2.268  -0.965  -5.694
  186    H6     U  17           H6         U  17  -3.257  -0.963  -7.911
  187   1H5*    A  18          1H5*        A  18   0.185  -3.151 -13.189
  188   2H5*    A  18          2H5*        A  18   0.754  -4.724 -13.778
  189    H4*    A  18           H4*        A  18   2.665  -3.256 -13.352
  190    H3*    A  18           H3*        A  18   2.246  -5.640 -11.526
  191    H2*    A  18           H2*        A  18   4.151  -5.046 -10.268
  192   2HO*    A  18          2HO*        A  18   5.806  -3.830 -11.088
  193    H1*    A  18           H1*        A  18   3.888  -2.290 -10.391
  194    H8     A  18           H8         A  18   0.518  -3.398  -9.478
  195   1H6     A  18          1H6         A  18   1.102  -4.353  -4.783
  196   2H6     A  18          2H6         A  18   2.514  -4.532  -3.767
  197    H2     A  18           H2         A  18   6.097  -3.992  -6.404
  198   1H5*    G  19          1H5*        G  19   5.849  -5.461 -12.274
  199   2H5*    G  19          2H5*        G  19   6.848  -6.845 -12.757
  200    H4*    G  19           H4*        G  19   7.750  -6.040 -10.686
  201    H3*    G  19           H3*        G  19   6.117  -8.581 -10.519
  202    H2*    G  19           H2*        G  19   6.358  -8.658  -8.179
  203   2HO*    G  19          2HO*        G  19   8.149  -6.530  -7.960
  204    H1*    G  19           H1*        G  19   6.163  -5.975  -7.632
  205    H8     G  19           H8         G  19   3.658  -7.170 -10.243
  206    H1     G  19           H1         G  19   1.697  -7.909  -4.232
  207   1H2     G  19          1H2         G  19   4.962  -7.062  -3.379
  208   2H2     G  19          2H2         G  19   3.367  -7.529  -2.830
  209   1H5*    G  20          1H5*        G  20   8.818  -8.673  -7.302
  210   2H5*    G  20          2H5*        G  20   9.725 -10.191  -7.462
  211    H4*    G  20           H4*        G  20   8.645 -10.098  -5.266
  212    H3*    G  20           H3*        G  20   7.725 -12.109  -7.310
  213    H2*    G  20           H2*        G  20   5.767 -12.553  -6.186
  214   2HO*    G  20          2HO*        G  20   6.148 -12.360  -3.637
  215    H1*    G  20           H1*        G  20   6.049 -10.416  -4.163
  216    H8     G  20           H8         G  20   4.564  -9.686  -7.572
  217    H1     G  20           H1         G  20   0.237 -11.619  -3.305
  218   1H2     G  20          1H2         G  20   2.986 -12.336  -1.294
  219   2H2     G  20          2H2         G  20   1.247 -12.359  -1.480
  220   1H5*    C  21          1H5*        C  21   7.494 -16.509  -5.014
  221   2H5*    C  21          2H5*        C  21   6.311 -15.261  -5.458
  222    H4*    C  21           H4*        C  21   6.893 -16.068  -2.584
  223    H3*    C  21           H3*        C  21   5.009 -17.251  -4.628
  224    H2*    C  21           H2*        C  21   3.223 -17.286  -3.044
  225   2HO*    C  21          2HO*        C  21   4.882 -16.498  -0.912
  226    H1*    C  21           H1*        C  21   3.706 -14.914  -1.840
  227   1H4     C  21          1H4         C  21   0.544 -12.710  -7.031
  228   2H4     C  21          2H4         C  21  -0.714 -13.506  -6.113
  229    H5     C  21           H5         C  21   2.885 -12.867  -6.458
  230    H6     C  21           H6         C  21   4.520 -13.847  -4.951
  231   1H5*    C  22          1H5*        C  22   4.514 -21.283  -2.927
  232   2H5*    C  22          2H5*        C  22   4.093 -21.880  -4.545
  233    H4*    C  22           H4*        C  22   2.281 -21.037  -2.626
  234    H3*    C  22           H3*        C  22   2.158 -21.270  -5.644
  235    H2*    C  22           H2*        C  22   0.086 -20.258  -5.668
  236   2HO*    C  22          2HO*        C  22  -0.521 -20.532  -2.964
  237    H1*    C  22           H1*        C  22   0.387 -18.814  -3.198
  238   1H4     C  22          1H4         C  22   1.151 -14.561  -8.162
  239   2H4     C  22          2H4         C  22  -0.560 -14.920  -8.239
  240    H5     C  22           H5         C  22   2.683 -15.734  -6.713
  241    H6     C  22           H6         C  22   2.899 -17.466  -5.022
  242    H3T    C  22           H3T        C  22   1.459 -23.196  -5.113
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  -9.880 -17.756 -10.328
    2   2H5*    G   1          2H5*        G   1 -10.573 -19.368 -10.057
    3    H4*    G   1           H4*        G   1 -10.206 -19.179  -7.660
    4    H3*    G   1           H3*        G   1  -9.706 -16.296  -8.330
    5    H2*    G   1           H2*        G   1  -7.635 -16.279  -7.368
    6   2HO*    G   1          2HO*        G   1  -7.619 -17.549  -5.170
    7    H1*    G   1           H1*        G   1  -7.648 -19.146  -6.581
    8    H8     G   1           H8         G   1  -6.307 -17.579  -9.797
    9    H1     G   1           H1         G   1  -1.849 -18.502  -5.343
   10   1H2     G   1          1H2         G   1  -4.527 -19.382  -3.292
   11   2H2     G   1          2H2         G   1  -2.800 -19.152  -3.445
   12    H5T    G   1           H5T        G   1 -12.290 -18.426  -8.991
   13   1H5*    G   2          1H5*        G   2 -10.191 -14.540  -2.965
   14   2H5*    G   2          2H5*        G   2  -8.964 -14.725  -4.234
   15    H4*    G   2           H4*        G   2  -9.398 -16.668  -1.931
   16    H3*    G   2           H3*        G   2  -7.608 -14.265  -2.286
   17    H2*    G   2           H2*        G   2  -5.719 -15.422  -1.512
   18   2HO*    G   2          2HO*        G   2  -7.250 -17.636  -0.633
   19    H1*    G   2           H1*        G   2  -6.183 -17.882  -2.593
   20    H8     G   2           H8         G   2  -7.006 -15.673  -5.370
   21    H1     G   2           H1         G   2  -0.762 -15.430  -4.101
   22   1H2     G   2          1H2         G   2  -1.632 -16.984  -1.103
   23   2H2     G   2          2H2         G   2  -0.361 -16.333  -2.112
   24   1H5*    C   3          1H5*        C   3  -6.335 -14.609   1.675
   25   2H5*    C   3          2H5*        C   3  -6.141 -12.911   2.157
   26    H4*    C   3           H4*        C   3  -4.004 -14.349   1.663
   27    H3*    C   3           H3*        C   3  -4.618 -11.524   0.773
   28    H2*    C   3           H2*        C   3  -2.815 -11.490  -0.675
   29   2HO*    C   3          2HO*        C   3  -1.058 -13.259   0.126
   30    H1*    C   3           H1*        C   3  -2.348 -14.342  -0.821
   31   1H4     C   3          1H4         C   3  -4.503 -11.966  -6.592
   32   2H4     C   3          2H4         C   3  -2.773 -11.702  -6.634
   33    H5     C   3           H5         C   3  -5.667 -12.766  -4.631
   34    H6     C   3           H6         C   3  -5.426 -13.453  -2.303
   35   1H5*    C   4          1H5*        C   4  -1.184 -11.483   1.611
   36   2H5*    C   4          2H5*        C   4   0.059 -11.297   2.862
   37    H4*    C   4           H4*        C   4   0.840  -9.369   1.953
   38    H3*    C   4           H3*        C   4  -2.103  -8.695   1.694
   39    H2*    C   4           H2*        C   4  -1.789  -7.448  -0.177
   40   2HO*    C   4          2HO*        C   4  -0.350  -6.070   1.263
   41    H1*    C   4           H1*        C   4   0.932  -8.339  -0.782
   42   1H4     C   4          1H4         C   4  -3.672  -9.410  -5.428
   43   2H4     C   4          2H4         C   4  -2.181  -9.008  -6.254
   44    H5     C   4           H5         C   4  -3.850  -9.503  -2.999
   45    H6     C   4           H6         C   4  -2.633  -9.343  -0.907
   46   1H5*    G   5          1H5*        G   5   2.311  -7.421   0.720
   47   2H5*    G   5          2H5*        G   5   3.335  -6.221   1.532
   48    H4*    G   5           H4*        G   5   3.309  -5.461  -0.688
   49    H3*    G   5           H3*        G   5   1.115  -4.056   0.885
   50    H2*    G   5           H2*        G   5   0.489  -2.922  -1.071
   51   2HO*    G   5          2HO*        G   5   2.600  -3.370  -2.720
   52    H1*    G   5           H1*        G   5   1.469  -4.878  -2.934
   53    H8     G   5           H8         G   5  -1.326  -5.341  -0.295
   54    H1     G   5           H1         G   5  -3.441  -4.168  -6.182
   55   1H2     G   5          1H2         G   5  -0.078  -3.793  -6.993
   56   2H2     G   5          2H2         G   5  -1.740  -3.778  -7.538
   57   1H5*    A   6          1H5*        A   6   3.807   0.612  -0.163
   58   2H5*    A   6          2H5*        A   6   2.987   0.634  -1.736
   59    H4*    A   6           H4*        A   6   5.521  -0.826  -0.947
   60    H3*    A   6           H3*        A   6   4.693   1.208  -3.051
   61    H2*    A   6           H2*        A   6   6.401   0.342  -4.479
   62   2HO*    A   6          2HO*        A   6   8.167  -0.064  -3.301
   63    H1*    A   6           H1*        A   6   5.869  -2.291  -4.029
   64    H8     A   6           H8         A   6   2.440  -1.220  -4.151
   65   1H6     A   6          1H6         A   6   1.875  -0.054  -8.824
   66   2H6     A   6          2H6         A   6   3.009   0.219 -10.126
   67    H2     A   6           H2         A   6   7.126  -0.329  -8.422
   68   1H5*    A   7          1H5*        A   7   9.908   2.599  -2.201
   69   2H5*    A   7          2H5*        A   7   8.157   2.791  -2.426
   70    H4*    A   7           H4*        A   7   9.987   1.271  -4.331
   71    H3*    A   7           H3*        A   7   9.012   4.145  -4.288
   72    H2*    A   7           H2*        A   7   8.428   4.025  -6.535
   73   2HO*    A   7          2HO*        A   7   9.846   1.986  -7.529
   74    H1*    A   7           H1*        A   7   8.381   1.127  -6.730
   75    H8     A   7           H8         A   7   5.490   2.268  -4.790
   76   1H6     A   7          1H6         A   7   2.347   3.028  -8.371
   77   2H6     A   7          2H6         A   7   2.533   3.258 -10.095
   78    H2     A   7           H2         A   7   6.924   2.941 -10.981
   79   1H5*    A   8          1H5*        A   8  10.615   3.911  -8.405
   80   2H5*    A   8          2H5*        A   8  11.675   5.335  -8.368
   81    H4*    A   8           H4*        A   8   9.937   5.754  -9.991
   82    H3*    A   8           H3*        A   8  10.084   7.295  -7.513
   83    H2*    A   8           H2*        A   8   7.879   7.444  -7.100
   84   2HO*    A   8          2HO*        A   8   7.386   9.253  -8.052
   85    H1*    A   8           H1*        A   8   7.153   6.492  -9.784
   86    H8     A   8           H8         A   8   7.043   5.716  -6.175
   87   1H6     A   8          1H6         A   8   2.286   4.852  -5.686
   88   2H6     A   8          2H6         A   8   0.975   4.803  -6.843
   89    H2     A   8           H2         A   8   2.757   5.749 -10.865
   90   1H5*    U   9          1H5*        U   9   7.291   8.878 -12.770
   91   2H5*    U   9          2H5*        U   9   8.377  10.234 -12.400
   92    H4*    U   9           H4*        U   9   6.656  11.511 -11.752
   93    H3*    U   9           H3*        U   9   6.606   9.591  -9.654
   94    H2*    U   9           H2*        U   9   4.528   8.565  -9.812
   95   2HO*    U   9          2HO*        U   9   2.879   9.817  -9.367
   96    H1*    U   9           H1*        U   9   3.366   9.447 -12.160
   97    H3     U   9           H3         U   9   3.928   5.454 -14.197
   98    H5     U   9           H5         U   9   7.030   5.591 -11.326
   99    H6     U   9           H6         U   9   6.301   7.894 -10.814
  100   1H5*    C  10          1H5*        C  10   7.600  12.738  -8.592
  101   2H5*    C  10          2H5*        C  10   7.749  13.409  -6.954
  102    H4*    C  10           H4*        C  10   7.987  15.397  -8.028
  103    H3*    C  10           H3*        C  10   5.056  14.832  -7.884
  104    H2*    C  10           H2*        C  10   4.445  16.282  -9.587
  105   2HO*    C  10          2HO*        C  10   6.341  17.794  -8.409
  106    H1*    C  10           H1*        C  10   6.728  16.305 -11.163
  107   1H4     C  10          1H4         C  10   2.560  11.600 -13.191
  108   2H4     C  10          2H4         C  10   2.008  13.055 -13.989
  109    H5     C  10           H5         C  10   4.296  11.599 -11.510
  110    H6     C  10           H6         C  10   5.923  12.950 -10.312
  111   1H5*    C  11          1H5*        C  11   4.095  16.858  -5.050
  112   2H5*    C  11          2H5*        C  11   3.534  15.529  -4.017
  113    H4*    C  11           H4*        C  11   3.280  15.784  -7.032
  114    H3*    C  11           H3*        C  11   1.474  16.132  -4.715
  115    H2*    C  11           H2*        C  11  -0.072  14.463  -5.211
  116   2HO*    C  11          2HO*        C  11  -0.161  13.544  -7.379
  117    H1*    C  11           H1*        C  11   1.468  12.495  -6.204
  118   1H4     C  11          1H4         C  11   1.541  12.292   0.326
  119   2H4     C  11          2H4         C  11   3.272  12.478   0.151
  120    H5     C  11           H5         C  11   0.001  12.517  -1.512
  121    H6     C  11           H6         C  11  -0.218  12.854  -3.912
  122   1H5*    C  12          1H5*        C  12  -1.634  14.292  -6.740
  123   2H5*    C  12          2H5*        C  12  -1.965  15.662  -7.819
  124    H4*    C  12           H4*        C  12  -4.107  14.986  -7.192
  125    H3*    C  12           H3*        C  12  -3.132  17.418  -5.999
  126    H2*    C  12           H2*        C  12  -3.816  17.233  -3.814
  127   2HO*    C  12          2HO*        C  12  -5.900  17.669  -4.039
  128    H1*    C  12           H1*        C  12  -4.861  14.629  -3.589
  129   1H4     C  12          1H4         C  12   1.047  15.315  -0.650
  130   2H4     C  12          2H4         C  12  -0.009  14.498   0.481
  131    H5     C  12           H5         C  12   0.343  16.012  -2.845
  132    H6     C  12           H6         C  12  -1.521  16.072  -4.438
  133   1H5*    G  13          1H5*        G  13  -7.002  13.611  -8.879
  134   2H5*    G  13          2H5*        G  13  -6.157  13.491  -7.323
  135    H4*    G  13           H4*        G  13  -4.721  14.048  -9.940
  136    H3*    G  13           H3*        G  13  -5.686  11.458  -8.744
  137    H2*    G  13           H2*        G  13  -3.576  10.418  -8.959
  138   2HO*    G  13          2HO*        G  13  -2.371  10.903 -10.627
  139    H1*    G  13           H1*        G  13  -2.036  12.385  -8.004
  140    H8     G  13           H8         G  13  -2.418  12.643  -5.247
  141    H1     G  13           H1         G  13  -6.909   8.131  -5.615
  142   1H2     G  13          1H2         G  13  -6.788   8.719  -9.047
  143   2H2     G  13          2H2         G  13  -7.486   7.805  -7.730
  144   1H5*    A  14          1H5*        A  14  -5.490   7.710 -11.049
  145   2H5*    A  14          2H5*        A  14  -4.733   7.588  -9.448
  146    H4*    A  14           H4*        A  14  -3.449   7.710 -12.170
  147    H3*    A  14           H3*        A  14  -3.669   5.774  -9.989
  148    H2*    A  14           H2*        A  14  -1.508   5.731  -9.225
  149   2HO*    A  14          2HO*        A  14  -0.627   6.213 -11.897
  150    H1*    A  14           H1*        A  14  -0.300   7.950 -10.450
  151    H8     A  14           H8         A  14  -3.218   8.537  -8.023
  152   1H6     A  14          1H6         A  14  -0.612   9.239  -4.022
  153   2H6     A  14          2H6         A  14   1.093   9.084  -3.661
  154    H2     A  14           H2         A  14   3.096   7.707  -7.453
  155   1H5*    A  15          1H5*        A  15  -2.767   3.114  -9.970
  156   2H5*    A  15          2H5*        A  15  -3.857   1.947 -10.749
  157    H4*    A  15           H4*        A  15  -5.236   1.782  -8.880
  158    H3*    A  15           H3*        A  15  -5.242   4.489  -8.663
  159    H2*    A  15           H2*        A  15  -2.920   4.632  -7.942
  160   2HO*    A  15          2HO*        A  15  -3.100   5.394  -5.877
  161    H1*    A  15           H1*        A  15  -3.536   2.437  -5.942
  162    H8     A  15           H8         A  15  -0.828   3.280  -8.618
  163   1H6     A  15          1H6         A  15   3.047   2.568  -5.806
  164   2H6     A  15          2H6         A  15   3.237   2.205  -4.106
  165    H2     A  15           H2         A  15  -0.895   1.852  -2.374
  166   1H5*    G  16          1H5*        G  16  -8.783   1.717  -6.874
  167   2H5*    G  16          2H5*        G  16  -8.870   1.451  -5.121
  168    H4*    G  16           H4*        G  16  -6.277   1.406  -6.718
  169    H3*    G  16           H3*        G  16  -8.372  -0.604  -6.578
  170    H2*    G  16           H2*        G  16  -7.613  -1.592  -4.598
  171   2HO*    G  16          2HO*        G  16  -5.454  -2.256  -6.355
  172    H1*    G  16           H1*        G  16  -4.830  -0.495  -5.064
  173    H8     G  16           H8         G  16  -7.667  -0.799  -2.431
  174    H1     G  16           H1         G  16  -1.787  -1.757  -0.155
  175   1H2     G  16          1H2         G  16  -0.751  -1.108  -3.419
  176   2H2     G  16          2H2         G  16  -0.295  -1.490  -1.773
  177   1H5*    U  17          1H5*        U  17  -5.127  -2.850 -10.625
  178   2H5*    U  17          2H5*        U  17  -4.577  -2.026  -9.151
  179    H4*    U  17           H4*        U  17  -4.473  -0.774 -11.919
  180    H3*    U  17           H3*        U  17  -2.547  -2.600 -10.493
  181    H2*    U  17           H2*        U  17  -0.701  -1.186 -10.948
  182   2HO*    U  17          2HO*        U  17  -1.294   0.756 -12.420
  183    H1*    U  17           H1*        U  17  -1.848   1.214 -10.500
  184    H3     U  17           H3         U  17   1.127  -0.326  -7.276
  185    H5     U  17           H5         U  17  -2.776  -0.873  -5.814
  186    H6     U  17           H6         U  17  -3.591  -0.406  -8.046
  187   1H5*    A  18          1H5*        A  18   0.645  -2.342 -14.704
  188   2H5*    A  18          2H5*        A  18   0.507  -4.061 -14.282
  189    H4*    A  18           H4*        A  18   2.763  -2.576 -13.891
  190    H3*    A  18           H3*        A  18   1.655  -4.980 -12.388
  191    H2*    A  18           H2*        A  18   3.496  -4.850 -10.926
  192   2HO*    A  18          2HO*        A  18   4.836  -3.018 -12.635
  193    H1*    A  18           H1*        A  18   3.786  -2.048 -10.978
  194    H8     A  18           H8         A  18   0.258  -2.956 -10.112
  195   1H6     A  18          1H6         A  18   0.752  -3.977  -5.421
  196   2H6     A  18          2H6         A  18   2.145  -4.150  -4.377
  197    H2     A  18           H2         A  18   5.782  -3.561  -6.936
  198   1H5*    G  19          1H5*        G  19   5.468  -5.224 -13.013
  199   2H5*    G  19          2H5*        G  19   6.294  -6.763 -13.331
  200    H4*    G  19           H4*        G  19   7.129  -5.718 -11.258
  201    H3*    G  19           H3*        G  19   5.631  -8.345 -11.149
  202    H2*    G  19           H2*        G  19   5.775  -8.399  -8.794
  203   2HO*    G  19          2HO*        G  19   7.231  -6.274  -8.128
  204    H1*    G  19           H1*        G  19   5.344  -5.747  -8.280
  205    H8     G  19           H8         G  19   3.087  -6.987 -11.071
  206    H1     G  19           H1         G  19   0.803  -8.136  -5.238
  207   1H2     G  19          1H2         G  19   3.966  -7.179  -4.139
  208   2H2     G  19          2H2         G  19   2.355  -7.712  -3.713
  209   1H5*    G  20          1H5*        G  20   8.280  -8.194  -7.742
  210   2H5*    G  20          2H5*        G  20   9.219  -9.697  -7.853
  211    H4*    G  20           H4*        G  20   8.014  -9.538  -5.695
  212    H3*    G  20           H3*        G  20   7.411 -11.700  -7.702
  213    H2*    G  20           H2*        G  20   5.408 -12.233  -6.728
  214   2HO*    G  20          2HO*        G  20   5.316 -12.393  -4.372
  215    H1*    G  20           H1*        G  20   5.410 -10.039  -4.747
  216    H8     G  20           H8         G  20   4.047  -9.570  -8.254
  217    H1     G  20           H1         G  20  -0.243 -11.873  -4.141
  218   1H2     G  20          1H2         G  20   2.449 -12.129  -1.956
  219   2H2     G  20          2H2         G  20   0.740 -12.386  -2.226
  220   1H5*    C  21          1H5*        C  21   8.059 -13.430  -3.169
  221   2H5*    C  21          2H5*        C  21   8.360 -15.152  -3.475
  222    H4*    C  21           H4*        C  21   6.377 -14.367  -1.886
  223    H3*    C  21           H3*        C  21   6.576 -16.656  -3.825
  224    H2*    C  21           H2*        C  21   4.292 -16.840  -4.051
  225   2HO*    C  21          2HO*        C  21   4.543 -17.620  -1.712
  226    H1*    C  21           H1*        C  21   3.644 -14.505  -2.338
  227   1H4     C  21          1H4         C  21   0.371 -13.617  -7.896
  228   2H4     C  21          2H4         C  21  -0.801 -14.339  -6.816
  229    H5     C  21           H5         C  21   2.701 -13.368  -7.317
  230    H6     C  21           H6         C  21   4.412 -13.811  -5.669
  231   1H5*    C  22          1H5*        C  22   3.096 -16.305   0.181
  232   2H5*    C  22          2H5*        C  22   3.582 -17.161   1.657
  233    H4*    C  22           H4*        C  22   1.996 -18.688   1.157
  234    H3*    C  22           H3*        C  22   4.007 -19.187  -1.050
  235    H2*    C  22           H2*        C  22   2.518 -20.542  -2.178
  236   2HO*    C  22          2HO*        C  22   0.953 -21.761  -1.148
  237    H1*    C  22           H1*        C  22   0.116 -19.374  -1.145
  238   1H4     C  22          1H4         C  22   1.542 -17.540  -7.362
  239   2H4     C  22          2H4         C  22  -0.190 -17.768  -7.270
  240    H5     C  22           H5         C  22   3.016 -17.862  -5.487
  241    H6     C  22           H6         C  22   3.145 -18.422  -3.100
  242    H3T    C  22           H3T        C  22   4.647 -20.239   0.715
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1 -11.399 -20.967  -8.089
    2   2H5*    G   1          2H5*        G   1  -9.912 -21.106  -9.048
    3    H4*    G   1           H4*        G   1  -9.924 -21.358  -6.022
    4    H3*    G   1           H3*        G   1 -10.002 -18.897  -7.750
    5    H2*    G   1           H2*        G   1  -7.965 -18.138  -7.013
    6   2HO*    G   1          2HO*        G   1  -9.290 -18.605  -4.636
    7    H1*    G   1           H1*        G   1  -7.313 -20.504  -5.359
    8    H8     G   1           H8         G   1  -6.617 -19.874  -9.088
    9    H1     G   1           H1         G   1  -1.666 -18.696  -5.248
   10   1H2     G   1          1H2         G   1  -3.919 -19.368  -2.671
   11   2H2     G   1          2H2         G   1  -2.294 -18.906  -3.127
   12    H5T    G   1           H5T        G   1 -10.057 -23.169  -8.860
   13   1H5*    G   2          1H5*        G   2 -10.920 -18.186  -2.904
   14   2H5*    G   2          2H5*        G   2 -11.127 -16.435  -2.709
   15    H4*    G   2           H4*        G   2  -9.322 -17.675  -1.272
   16    H3*    G   2           H3*        G   2  -8.946 -15.076  -2.807
   17    H2*    G   2           H2*        G   2  -6.747 -14.961  -1.975
   18   2HO*    G   2          2HO*        G   2  -6.286 -15.603  -0.010
   19    H1*    G   2           H1*        G   2  -6.198 -17.689  -1.993
   20    H8     G   2           H8         G   2  -7.587 -16.745  -5.333
   21    H1     G   2           H1         G   2  -1.485 -15.006  -4.622
   22   1H2     G   2          1H2         G   2  -1.985 -15.766  -1.258
   23   2H2     G   2          2H2         G   2  -0.887 -15.198  -2.496
   24   1H5*    C   3          1H5*        C   3  -6.745 -14.538   1.462
   25   2H5*    C   3          2H5*        C   3  -7.080 -12.796   1.526
   26    H4*    C   3           H4*        C   3  -4.578 -13.821   1.306
   27    H3*    C   3           H3*        C   3  -5.832 -11.227   0.429
   28    H2*    C   3           H2*        C   3  -4.237 -10.860  -1.192
   29   2HO*    C   3          2HO*        C   3  -1.932 -11.657  -0.372
   30    H1*    C   3           H1*        C   3  -2.838 -13.457  -0.816
   31   1H4     C   3          1H4         C   3  -4.311 -12.595  -7.199
   32   2H4     C   3          2H4         C   3  -2.639 -12.101  -7.054
   33    H5     C   3           H5         C   3  -5.669 -13.236  -5.301
   34    H6     C   3           H6         C   3  -5.752 -13.372  -2.874
   35   1H5*    C   4          1H5*        C   4  -0.411 -12.021   1.326
   36   2H5*    C   4          2H5*        C   4  -0.041 -11.348   2.927
   37    H4*    C   4           H4*        C   4   1.130  -9.801   1.737
   38    H3*    C   4           H3*        C   4  -1.761  -8.945   1.596
   39    H2*    C   4           H2*        C   4  -1.465  -7.622  -0.219
   40   2HO*    C   4          2HO*        C   4  -0.076  -6.276   1.180
   41    H1*    C   4           H1*        C   4   1.221  -8.519  -0.959
   42   1H4     C   4          1H4         C   4  -3.567  -9.202  -5.490
   43   2H4     C   4          2H4         C   4  -2.109  -8.766  -6.351
   44    H5     C   4           H5         C   4  -3.653  -9.460  -3.083
   45    H6     C   4           H6         C   4  -2.358  -9.468  -1.033
   46   1H5*    G   5          1H5*        G   5   2.768  -7.746   0.567
   47   2H5*    G   5          2H5*        G   5   3.771  -6.536   1.387
   48    H4*    G   5           H4*        G   5   3.646  -5.769  -0.845
   49    H3*    G   5           H3*        G   5   1.533  -4.358   0.841
   50    H2*    G   5           H2*        G   5   0.972  -3.115  -1.083
   51   2HO*    G   5          2HO*        G   5   2.464  -2.430  -2.450
   52    H1*    G   5           H1*        G   5   1.756  -5.115  -2.978
   53    H8     G   5           H8         G   5  -0.957  -5.521  -0.254
   54    H1     G   5           H1         G   5  -3.214  -3.877  -5.976
   55   1H2     G   5          1H2         G   5   0.136  -3.652  -6.894
   56   2H2     G   5          2H2         G   5  -1.541  -3.493  -7.368
   57   1H5*    A   6          1H5*        A   6   3.948   0.382  -0.043
   58   2H5*    A   6          2H5*        A   6   2.986   0.230  -1.529
   59    H4*    A   6           H4*        A   6   5.381  -1.512  -0.818
   60    H3*    A   6           H3*        A   6   5.097   1.017  -2.468
   61    H2*    A   6           H2*        A   6   6.543   0.128  -4.113
   62   2HO*    A   6          2HO*        A   6   7.714  -1.924  -3.537
   63    H1*    A   6           H1*        A   6   5.729  -2.513  -3.987
   64    H8     A   6           H8         A   6   2.463  -1.169  -4.290
   65   1H6     A   6          1H6         A   6   2.373   0.330  -8.882
   66   2H6     A   6          2H6         A   6   3.628   0.679 -10.050
   67    H2     A   6           H2         A   6   7.557  -0.143  -8.018
   68   1H5*    A   7          1H5*        A   7  10.347   3.197  -1.649
   69   2H5*    A   7          2H5*        A   7   8.770   3.829  -2.166
   70    H4*    A   7           H4*        A   7  10.645   1.959  -3.622
   71    H3*    A   7           H3*        A   7   9.296   4.614  -4.134
   72    H2*    A   7           H2*        A   7   8.861   4.075  -6.356
   73   2HO*    A   7          2HO*        A   7  10.551   1.950  -6.729
   74    H1*    A   7           H1*        A   7   8.869   1.241  -6.151
   75    H8     A   7           H8         A   7   6.142   2.242  -4.018
   76   1H6     A   7          1H6         A   7   2.638   2.959  -7.227
   77   2H6     A   7          2H6         A   7   2.633   3.250  -8.952
   78    H2     A   7           H2         A   7   6.909   3.147 -10.300
   79   1H5*    A   8          1H5*        A   8  10.692   4.226  -7.769
   80   2H5*    A   8          2H5*        A   8  11.829   5.566  -8.016
   81    H4*    A   8           H4*        A   8  10.188   5.971  -9.646
   82    H3*    A   8           H3*        A   8  10.048   7.634  -7.214
   83    H2*    A   8           H2*        A   8   7.765   7.877  -7.124
   84   2HO*    A   8          2HO*        A   8   6.948   8.234  -9.593
   85    H1*    A   8           H1*        A   8   7.026   6.348  -9.474
   86    H8     A   8           H8         A   8   7.552   5.650  -5.685
   87   1H6     A   8          1H6         A   8   2.936   4.750  -4.581
   88   2H6     A   8          2H6         A   8   1.467   4.712  -5.530
   89    H2     A   8           H2         A   8   2.625   5.755  -9.749
   90   1H5*    U   9          1H5*        U   9   8.049  11.488  -9.383
   91   2H5*    U   9          2H5*        U   9   8.260  12.100  -7.737
   92    H4*    U   9           H4*        U   9   5.905  10.999  -8.950
   93    H3*    U   9           H3*        U   9   6.643  12.451  -6.487
   94    H2*    U   9           H2*        U   9   5.571  11.148  -4.951
   95   2HO*    U   9          2HO*        U   9   3.582  11.617  -6.764
   96    H1*    U   9           H1*        U   9   4.758   8.879  -6.451
   97    H3     U   9           H3         U   9   6.260   7.106  -2.576
   98    H5     U   9           H5         U   9   9.607   9.129  -4.160
   99    H6     U   9           H6         U   9   8.175   9.884  -5.978
  100   1H5*    C  10          1H5*        C  10   3.574  14.863  -4.315
  101   2H5*    C  10          2H5*        C  10   5.214  14.294  -3.944
  102    H4*    C  10           H4*        C  10   2.574  13.282  -2.856
  103    H3*    C  10           H3*        C  10   5.041  14.631  -1.778
  104    H2*    C  10           H2*        C  10   5.177  13.239   0.090
  105   2HO*    C  10          2HO*        C  10   3.425  12.546   1.108
  106    H1*    C  10           H1*        C  10   4.264  10.870  -0.974
  107   1H4     C  10          1H4         C  10  10.743  11.658  -2.080
  108   2H4     C  10          2H4         C  10  10.641  10.902  -0.506
  109    H5     C  10           H5         C  10   8.805  12.361  -3.329
  110    H6     C  10           H6         C  10   6.360  12.480  -3.351
  111   1H5*    C  11          1H5*        C  11   0.138  13.533  -4.113
  112   2H5*    C  11          2H5*        C  11   1.198  14.870  -4.597
  113    H4*    C  11           H4*        C  11  -1.459  15.236  -3.163
  114    H3*    C  11           H3*        C  11  -1.028  14.532  -5.918
  115    H2*    C  11           H2*        C  11  -0.965  16.578  -7.005
  116   2HO*    C  11          2HO*        C  11  -2.420  18.298  -5.794
  117    H1*    C  11           H1*        C  11  -0.633  18.458  -5.101
  118   1H4     C  11          1H4         C  11   5.000  16.876  -7.975
  119   2H4     C  11          2H4         C  11   5.293  18.396  -7.158
  120    H5     C  11           H5         C  11   2.923  15.664  -7.761
  121    H6     C  11           H6         C  11   0.792  15.522  -6.665
  122   1H5*    C  12          1H5*        C  12  -3.408  14.532  -8.761
  123   2H5*    C  12          2H5*        C  12  -2.845  15.715  -7.580
  124    H4*    C  12           H4*        C  12  -5.552  16.393  -8.229
  125    H3*    C  12           H3*        C  12  -4.457  15.134 -10.441
  126    H2*    C  12           H2*        C  12  -2.870  16.579 -11.232
  127   2HO*    C  12          2HO*        C  12  -3.891  17.666 -12.703
  128    H1*    C  12           H1*        C  12  -3.579  19.064  -9.993
  129   1H4     C  12          1H4         C  12   2.644  17.036  -9.046
  130   2H4     C  12          2H4         C  12   2.705  18.777  -9.196
  131    H5     C  12           H5         C  12   0.562  15.771  -9.161
  132    H6     C  12           H6         C  12  -1.810  15.919  -9.384
  133   1H5*    G  13          1H5*        G  13  -3.960  15.134 -12.498
  134   2H5*    G  13          2H5*        G  13  -4.847  14.793 -14.001
  135    H4*    G  13           H4*        G  13  -4.981  12.411 -13.409
  136    H3*    G  13           H3*        G  13  -4.836  13.050 -10.809
  137    H2*    G  13           H2*        G  13  -2.704  14.078 -10.660
  138   2HO*    G  13          2HO*        G  13  -2.199  12.374  -9.392
  139    H1*    G  13           H1*        G  13  -1.166  12.561 -12.519
  140    H8     G  13           H8         G  13  -0.519  15.090 -10.950
  141    H1     G  13           H1         G  13  -1.847  17.783 -16.563
  142   1H2     G  13          1H2         G  13  -3.476  14.776 -17.256
  143   2H2     G  13          2H2         G  13  -3.027  16.374 -17.811
  144   1H5*    A  14          1H5*        A  14  -4.772   7.774 -10.333
  145   2H5*    A  14          2H5*        A  14  -3.727   9.206 -10.310
  146    H4*    A  14           H4*        A  14  -3.069   6.987 -12.219
  147    H3*    A  14           H3*        A  14  -3.233   6.652  -9.312
  148    H2*    A  14           H2*        A  14  -1.012   6.682  -8.755
  149   2HO*    A  14          2HO*        A  14   0.300   5.282  -9.690
  150    H1*    A  14           H1*        A  14   0.249   7.695 -11.038
  151    H8     A  14           H8         A  14  -1.941  10.412  -9.941
  152   1H6     A  14          1H6         A  14   0.607  12.212  -6.244
  153   2H6     A  14          2H6         A  14   1.982  11.620  -5.340
  154    H2     A  14           H2         A  14   3.057   7.615  -7.075
  155   1H5*    A  15          1H5*        A  15  -3.041   3.169  -9.882
  156   2H5*    A  15          2H5*        A  15  -4.053   1.855 -10.523
  157    H4*    A  15           H4*        A  15  -5.464   1.865  -8.631
  158    H3*    A  15           H3*        A  15  -5.302   4.598  -8.602
  159    H2*    A  15           H2*        A  15  -3.033   4.721  -7.825
  160   2HO*    A  15          2HO*        A  15  -4.421   5.834  -6.317
  161    H1*    A  15           H1*        A  15  -3.613   2.549  -5.805
  162    H8     A  15           H8         A  15  -1.013   3.447  -8.578
  163   1H6     A  15          1H6         A  15   2.959   2.702  -5.927
  164   2H6     A  15          2H6         A  15   3.214   2.261  -4.253
  165    H2     A  15           H2         A  15  -0.844   1.778  -2.394
  166   1H5*    G  16          1H5*        G  16  -8.832   0.727  -6.604
  167   2H5*    G  16          2H5*        G  16  -8.685   0.973  -4.852
  168    H4*    G  16           H4*        G  16  -6.172   1.085  -6.491
  169    H3*    G  16           H3*        G  16  -7.952  -1.265  -6.447
  170    H2*    G  16           H2*        G  16  -6.880  -2.320  -4.679
  171   2HO*    G  16          2HO*        G  16  -5.577  -2.868  -6.785
  172    H1*    G  16           H1*        G  16  -4.479  -0.509  -4.873
  173    H8     G  16           H8         G  16  -7.325  -1.310  -2.354
  174    H1     G  16           H1         G  16  -1.417  -2.171  -0.113
  175   1H2     G  16          1H2         G  16  -0.401  -1.261  -3.321
  176   2H2     G  16          2H2         G  16   0.068  -1.731  -1.703
  177   1H5*    U  17          1H5*        U  17  -5.503  -2.088 -11.623
  178   2H5*    U  17          2H5*        U  17  -4.665  -2.359 -10.081
  179    H4*    U  17           H4*        U  17  -4.213  -0.168 -12.119
  180    H3*    U  17           H3*        U  17  -2.561  -2.355 -10.810
  181    H2*    U  17           H2*        U  17  -0.650  -0.973 -10.918
  182   2HO*    U  17          2HO*        U  17  -2.131   0.369 -12.938
  183    H1*    U  17           H1*        U  17  -1.904   1.461 -10.439
  184    H3     U  17           H3         U  17   1.302  -0.042  -7.423
  185    H5     U  17           H5         U  17  -2.499  -0.773  -5.785
  186    H6     U  17           H6         U  17  -3.445  -0.248  -7.956
  187   1H5*    A  18          1H5*        A  18   0.311  -1.169 -13.662
  188   2H5*    A  18          2H5*        A  18   0.533  -2.634 -14.639
  189    H4*    A  18           H4*        A  18   2.698  -1.903 -13.793
  190    H3*    A  18           H3*        A  18   1.516  -4.419 -12.569
  191    H2*    A  18           H2*        A  18   3.408  -4.639 -11.193
  192   2HO*    A  18          2HO*        A  18   4.640  -3.184 -13.270
  193    H1*    A  18           H1*        A  18   3.986  -1.902 -10.882
  194    H8     A  18           H8         A  18   0.416  -2.710 -10.016
  195   1H6     A  18          1H6         A  18   0.986  -4.039  -5.416
  196   2H6     A  18          2H6         A  18   2.394  -4.349  -4.426
  197    H2     A  18           H2         A  18   5.988  -3.769  -7.054
  198   1H5*    G  19          1H5*        G  19   5.618  -4.846 -13.218
  199   2H5*    G  19          2H5*        G  19   6.042  -6.503 -13.693
  200    H4*    G  19           H4*        G  19   7.109  -5.723 -11.539
  201    H3*    G  19           H3*        G  19   5.342  -8.179 -11.729
  202    H2*    G  19           H2*        G  19   5.603  -8.582  -9.422
  203   2HO*    G  19          2HO*        G  19   8.007  -7.584  -9.830
  204    H1*    G  19           H1*        G  19   5.448  -6.007  -8.529
  205    H8     G  19           H8         G  19   3.007  -6.792 -11.351
  206    H1     G  19           H1         G  19   0.771  -8.199  -5.548
  207   1H2     G  19          1H2         G  19   4.014  -7.521  -4.467
  208   2H2     G  19          2H2         G  19   2.380  -7.976  -4.039
  209   1H5*    G  20          1H5*        G  20   7.589 -11.672  -9.129
  210   2H5*    G  20          2H5*        G  20   6.177 -10.678  -9.544
  211    H4*    G  20           H4*        G  20   8.013  -9.715  -7.370
  212    H3*    G  20           H3*        G  20   6.328 -12.204  -7.250
  213    H2*    G  20           H2*        G  20   5.280 -11.543  -5.249
  214   2HO*    G  20          2HO*        G  20   6.774  -9.302  -4.686
  215    H1*    G  20           H1*        G  20   5.075  -8.869  -5.667
  216    H8     G  20           H8         G  20   3.898  -9.738  -8.909
  217    H1     G  20           H1         G  20  -0.348 -11.494  -4.493
  218   1H2     G  20          1H2         G  20   2.291 -11.134  -2.248
  219   2H2     G  20          2H2         G  20   0.609 -11.543  -2.494
  220   1H5*    C  21          1H5*        C  21   6.450 -11.495  -3.079
  221   2H5*    C  21          2H5*        C  21   7.367 -12.908  -2.516
  222    H4*    C  21           H4*        C  21   5.153 -12.895  -1.473
  223    H3*    C  21           H3*        C  21   5.893 -15.027  -3.452
  224    H2*    C  21           H2*        C  21   3.720 -15.669  -3.821
  225   2HO*    C  21          2HO*        C  21   2.261 -15.676  -1.859
  226    H1*    C  21           H1*        C  21   2.425 -13.512  -2.317
  227   1H4     C  21          1H4         C  21   0.357 -13.552  -8.537
  228   2H4     C  21          2H4         C  21  -0.923 -14.335  -7.634
  229    H5     C  21           H5         C  21   2.448 -12.853  -7.508
  230    H6     C  21           H6         C  21   3.742 -12.781  -5.506
  231   1H5*    C  22          1H5*        C  22   5.017 -18.056   0.737
  232   2H5*    C  22          2H5*        C  22   4.895 -19.464  -0.338
  233    H4*    C  22           H4*        C  22   2.822 -18.371   1.167
  234    H3*    C  22           H3*        C  22   2.937 -20.185  -1.255
  235    H2*    C  22           H2*        C  22   0.603 -20.137  -1.424
  236   2HO*    C  22          2HO*        C  22   0.333 -20.463   0.923
  237    H1*    C  22           H1*        C  22   0.257 -17.474  -0.705
  238   1H4     C  22          1H4         C  22   1.468 -17.634  -7.192
  239   2H4     C  22          2H4         C  22  -0.211 -18.109  -7.060
  240    H5     C  22           H5         C  22   2.905 -17.322  -5.282
  241    H6     C  22           H6         C  22   3.051 -17.446  -2.832
  242    H3T    C  22           H3T        C  22   3.230 -21.455   0.428
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1 -12.815 -16.107  -8.427
    2   2H5*    G   1          2H5*        G   1 -11.403 -16.259  -9.492
    3    H4*    G   1           H4*        G   1 -11.491 -16.970  -6.532
    4    H3*    G   1           H3*        G   1 -10.626 -14.536  -8.067
    5    H2*    G   1           H2*        G   1  -8.468 -14.651  -7.336
    6   2HO*    G   1          2HO*        G   1  -8.387 -15.393  -4.877
    7    H1*    G   1           H1*        G   1  -8.752 -17.182  -5.827
    8    H8     G   1           H8         G   1  -7.845 -16.696  -9.512
    9    H1     G   1           H1         G   1  -2.788 -17.250  -5.673
   10   1H2     G   1          1H2         G   1  -5.139 -17.224  -3.098
   11   2H2     G   1          2H2         G   1  -3.452 -17.290  -3.554
   12    H5T    G   1           H5T        G   1 -12.909 -18.303  -8.242
   13   1H5*    G   2          1H5*        G   2 -10.798 -15.227  -2.064
   14   2H5*    G   2          2H5*        G   2 -10.703 -13.463  -1.885
   15    H4*    G   2           H4*        G   2  -8.676 -15.159  -1.226
   16    H3*    G   2           H3*        G   2  -8.775 -12.268  -2.069
   17    H2*    G   2           H2*        G   2  -6.616 -12.274  -2.802
   18   2HO*    G   2          2HO*        G   2  -5.648 -14.013  -0.831
   19    H1*    G   2           H1*        G   2  -6.152 -15.169  -2.342
   20    H8     G   2           H8         G   2  -7.506 -13.732  -5.596
   21    H1     G   2           H1         G   2  -1.131 -13.979  -5.376
   22   1H2     G   2          1H2         G   2  -1.596 -14.919  -2.057
   23   2H2     G   2          2H2         G   2  -0.468 -14.567  -3.347
   24   1H5*    C   3          1H5*        C   3  -5.093 -14.849   1.828
   25   2H5*    C   3          2H5*        C   3  -5.084 -13.440   2.906
   26    H4*    C   3           H4*        C   3  -2.869 -14.041   1.737
   27    H3*    C   3           H3*        C   3  -4.167 -11.315   1.829
   28    H2*    C   3           H2*        C   3  -2.843 -10.533   0.107
   29   2HO*    C   3          2HO*        C   3  -0.483 -11.451   0.239
   30    H1*    C   3           H1*        C   3  -1.549 -13.164  -0.425
   31   1H4     C   3          1H4         C   3  -3.772 -10.465  -6.043
   32   2H4     C   3          2H4         C   3  -2.030 -10.564  -6.180
   33    H5     C   3           H5         C   3  -4.970 -11.051  -4.027
   34    H6     C   3           H6         C   3  -4.749 -11.870  -1.724
   35   1H5*    C   4          1H5*        C   4   0.995 -12.350   1.207
   36   2H5*    C   4          2H5*        C   4   1.942 -12.296   2.706
   37    H4*    C   4           H4*        C   4   2.768 -10.265   2.185
   38    H3*    C   4           H3*        C   4  -0.163  -9.552   1.822
   39    H2*    C   4           H2*        C   4   0.464  -7.639   0.601
   40   2HO*    C   4          2HO*        C   4   2.943  -7.185   0.734
   41    H1*    C   4           H1*        C   4   2.781  -8.630  -0.581
   42   1H4     C   4          1H4         C   4  -2.513  -9.017  -4.530
   43   2H4     C   4          2H4         C   4  -1.111  -8.749  -5.544
   44    H5     C   4           H5         C   4  -2.377  -9.276  -2.129
   45    H6     C   4           H6         C   4  -0.863  -9.350  -0.203
   46   1H5*    G   5          1H5*        G   5   1.988  -5.101   3.084
   47   2H5*    G   5          2H5*        G   5   0.579  -4.350   2.319
   48    H4*    G   5           H4*        G   5   3.171  -5.051   1.166
   49    H3*    G   5           H3*        G   5   0.799  -3.311   0.456
   50    H2*    G   5           H2*        G   5   1.401  -3.338  -1.833
   51   2HO*    G   5          2HO*        G   5   3.450  -3.334  -2.345
   52    H1*    G   5           H1*        G   5   1.979  -5.935  -2.114
   53    H8     G   5           H8         G   5  -0.778  -5.861   0.406
   54    H1     G   5           H1         G   5  -2.962  -4.541  -5.433
   55   1H2     G   5          1H2         G   5   0.405  -4.285  -6.296
   56   2H2     G   5          2H2         G   5  -1.263  -4.171  -6.811
   57   1H5*    A   6          1H5*        A   6   2.942   0.841  -0.986
   58   2H5*    A   6          2H5*        A   6   2.257  -0.795  -1.027
   59    H4*    A   6           H4*        A   6   4.959  -1.227  -0.461
   60    H3*    A   6           H3*        A   6   4.631   1.179  -2.279
   61    H2*    A   6           H2*        A   6   6.235   0.318  -3.761
   62   2HO*    A   6          2HO*        A   6   7.966  -0.667  -3.025
   63    H1*    A   6           H1*        A   6   5.709  -2.401  -3.436
   64    H8     A   6           H8         A   6   2.391  -1.411  -4.225
   65   1H6     A   6          1H6         A   6   2.696  -0.318  -8.919
   66   2H6     A   6          2H6         A   6   4.045   0.003  -9.987
   67    H2     A   6           H2         A   6   7.777  -0.338  -7.504
   68   1H5*    A   7          1H5*        A   7   8.987   4.348  -1.374
   69   2H5*    A   7          2H5*        A   7   7.386   4.332  -2.141
   70    H4*    A   7           H4*        A   7   9.911   2.917  -3.054
   71    H3*    A   7           H3*        A   7   8.226   5.218  -4.005
   72    H2*    A   7           H2*        A   7   8.162   4.471  -6.205
   73   2HO*    A   7          2HO*        A   7  10.147   2.624  -6.293
   74    H1*    A   7           H1*        A   7   8.529   1.705  -5.820
   75    H8     A   7           H8         A   7   5.583   2.397  -3.879
   76   1H6     A   7          1H6         A   7   2.185   2.479  -7.296
   77   2H6     A   7          2H6         A   7   2.240   2.698  -9.030
   78    H2     A   7           H2         A   7   6.555   3.148 -10.152
   79   1H5*    A   8          1H5*        A   8  10.032   4.675  -8.009
   80   2H5*    A   8          2H5*        A   8  10.988   6.170  -8.087
   81    H4*    A   8           H4*        A   8   9.245   6.485  -9.667
   82    H3*    A   8           H3*        A   8   9.093   7.964  -7.118
   83    H2*    A   8           H2*        A   8   6.811   7.947  -6.886
   84   2HO*    A   8          2HO*        A   8   5.672   8.608  -9.016
   85    H1*    A   8           H1*        A   8   6.154   6.617  -9.439
   86    H8     A   8           H8         A   8   6.594   5.902  -5.650
   87   1H6     A   8          1H6         A   8   2.095   4.318  -4.811
   88   2H6     A   8          2H6         A   8   0.708   4.069  -5.848
   89    H2     A   8           H2         A   8   1.968   5.264 -10.001
   90   1H5*    U   9          1H5*        U   9   7.374  10.117 -10.889
   91   2H5*    U   9          2H5*        U   9   7.449  11.881 -10.719
   92    H4*    U   9           H4*        U   9   5.190  10.937 -11.416
   93    H3*    U   9           H3*        U   9   5.792  12.937  -9.346
   94    H2*    U   9           H2*        U   9   4.073  12.502  -7.889
   95   2HO*    U   9          2HO*        U   9   2.101  12.776  -8.622
   96    H1*    U   9           H1*        U   9   2.992  10.064  -8.877
   97    H3     U   9           H3         U   9   3.026   9.370  -4.429
   98    H5     U   9           H5         U   9   7.068  10.115  -5.373
   99    H6     U   9           H6         U   9   6.370  10.522  -7.659
  100   1H5*    C  10          1H5*        C  10   3.710  11.542 -12.997
  101   2H5*    C  10          2H5*        C  10   3.451  12.082 -14.667
  102    H4*    C  10           H4*        C  10   1.554  13.496 -13.885
  103    H3*    C  10           H3*        C  10   2.633  12.889 -11.268
  104    H2*    C  10           H2*        C  10   1.063  11.418 -10.397
  105   2HO*    C  10          2HO*        C  10  -0.981  12.609 -11.977
  106    H1*    C  10           H1*        C  10  -0.356  10.502 -12.562
  107   1H4     C  10          1H4         C  10   4.625   6.453 -10.988
  108   2H4     C  10          2H4         C  10   3.446   5.477 -11.835
  109    H5     C  10           H5         C  10   4.378   8.824 -10.652
  110    H6     C  10           H6         C  10   2.962  10.772 -11.098
  111   1H5*    C  11          1H5*        C  11  -1.778  13.059  -9.870
  112   2H5*    C  11          2H5*        C  11  -3.024  13.929 -10.785
  113    H4*    C  11           H4*        C  11  -1.821  14.870  -8.155
  114    H3*    C  11           H3*        C  11  -3.838  12.868  -8.633
  115    H2*    C  11           H2*        C  11  -5.823  14.034  -8.440
  116   2HO*    C  11          2HO*        C  11  -5.152  16.102  -6.821
  117    H1*    C  11           H1*        C  11  -5.177  16.670  -8.698
  118   1H4     C  11          1H4         C  11  -7.084  14.115 -14.403
  119   2H4     C  11          2H4         C  11  -7.207  15.850 -14.588
  120    H5     C  11           H5         C  11  -6.168  13.081 -12.422
  121    H6     C  11           H6         C  11  -5.106  13.415 -10.299
  122   1H5*    C  12          1H5*        C  12  -6.148  12.621  -6.743
  123   2H5*    C  12          2H5*        C  12  -5.862  14.122  -5.844
  124    H4*    C  12           H4*        C  12  -6.963  12.389  -3.938
  125    H3*    C  12           H3*        C  12  -7.798  11.319  -6.433
  126    H2*    C  12           H2*        C  12  -9.558  12.662  -7.077
  127   2HO*    C  12          2HO*        C  12 -10.755  11.278  -5.625
  128    H1*    C  12           H1*        C  12  -9.934  14.410  -4.928
  129   1H4     C  12          1H4         C  12  -7.778  17.387 -10.445
  130   2H4     C  12          2H4         C  12  -8.673  18.591  -9.546
  131    H5     C  12           H5         C  12  -7.362  15.159  -9.620
  132    H6     C  12           H6         C  12  -7.790  13.589  -7.795
  133   1H5*    G  13          1H5*        G  13  -9.570  10.568  -7.488
  134   2H5*    G  13          2H5*        G  13  -9.865   8.915  -8.060
  135    H4*    G  13           H4*        G  13  -8.186  10.245  -9.417
  136    H3*    G  13           H3*        G  13  -8.037   7.500  -8.492
  137    H2*    G  13           H2*        G  13  -5.848   7.228  -7.943
  138   2HO*    G  13          2HO*        G  13  -5.145   9.376  -9.681
  139    H1*    G  13           H1*        G  13  -4.969   9.680  -7.263
  140    H8     G  13           H8         G  13  -6.398  10.554  -4.841
  141    H1     G  13           H1         G  13  -7.936   4.398  -4.255
  142   1H2     G  13          1H2         G  13  -7.113   4.194  -7.635
  143   2H2     G  13          2H2         G  13  -7.669   3.365  -6.199
  144   1H5*    A  14          1H5*        A  14  -5.715   6.491 -12.140
  145   2H5*    A  14          2H5*        A  14  -5.385   7.037 -10.486
  146    H4*    A  14           H4*        A  14  -3.400   6.907 -12.788
  147    H3*    A  14           H3*        A  14  -4.142   5.047 -10.635
  148    H2*    A  14           H2*        A  14  -2.302   5.296  -9.284
  149   2HO*    A  14          2HO*        A  14  -0.408   5.638 -11.276
  150    H1*    A  14           H1*        A  14  -0.859   7.382 -10.645
  151    H8     A  14           H8         A  14  -3.921   8.242  -8.558
  152   1H6     A  14          1H6         A  14  -1.727   9.105  -4.343
  153   2H6     A  14          2H6         A  14  -0.086   8.876  -3.782
  154    H2     A  14           H2         A  14   2.244   7.186  -7.236
  155   1H5*    A  15          1H5*        A  15  -2.953   2.291 -10.390
  156   2H5*    A  15          2H5*        A  15  -3.821   1.061 -11.336
  157    H4*    A  15           H4*        A  15  -5.520   0.851  -9.751
  158    H3*    A  15           H3*        A  15  -5.611   3.573  -9.596
  159    H2*    A  15           H2*        A  15  -3.619   3.884  -8.317
  160   2HO*    A  15          2HO*        A  15  -4.421   4.686  -6.517
  161    H1*    A  15           H1*        A  15  -4.264   1.567  -6.521
  162    H8     A  15           H8         A  15  -1.391   2.677  -8.914
  163   1H6     A  15          1H6         A  15   2.217   2.348  -5.716
  164   2H6     A  15          2H6         A  15   2.266   1.999  -4.002
  165    H2     A  15           H2         A  15  -1.962   1.212  -2.706
  166   1H5*    G  16          1H5*        G  16  -9.107  -0.167  -6.688
  167   2H5*    G  16          2H5*        G  16  -8.171   1.310  -6.377
  168    H4*    G  16           H4*        G  16  -6.316   0.095  -7.790
  169    H3*    G  16           H3*        G  16  -8.329  -1.968  -7.710
  170    H2*    G  16           H2*        G  16  -7.690  -2.864  -5.642
  171   2HO*    G  16          2HO*        G  16  -5.719  -3.633  -7.515
  172    H1*    G  16           H1*        G  16  -4.888  -1.774  -5.957
  173    H8     G  16           H8         G  16  -7.913  -2.188  -3.588
  174    H1     G  16           H1         G  16  -2.231  -2.394  -0.703
  175   1H2     G  16          1H2         G  16  -0.947  -1.668  -3.860
  176   2H2     G  16          2H2         G  16  -0.619  -1.992  -2.173
  177   1H5*    U  17          1H5*        U  17  -4.622  -3.802 -11.575
  178   2H5*    U  17          2H5*        U  17  -4.384  -3.128  -9.949
  179    H4*    U  17           H4*        U  17  -3.865  -1.598 -12.529
  180    H3*    U  17           H3*        U  17  -2.068  -3.321 -10.793
  181    H2*    U  17           H2*        U  17  -0.316  -1.747 -11.035
  182   2HO*    U  17          2HO*        U  17  -0.112  -0.537 -12.785
  183    H1*    U  17           H1*        U  17  -1.817   0.537 -10.827
  184    H3     U  17           H3         U  17   1.155  -0.572  -7.404
  185    H5     U  17           H5         U  17  -2.749  -1.423  -6.101
  186    H6     U  17           H6         U  17  -3.502  -1.112  -8.391
  187   1H5*    A  18          1H5*        A  18   0.726  -2.073 -13.254
  188   2H5*    A  18          2H5*        A  18   1.278  -3.455 -14.223
  189    H4*    A  18           H4*        A  18   3.212  -2.366 -13.219
  190    H3*    A  18           H3*        A  18   2.423  -5.074 -12.098
  191    H2*    A  18           H2*        A  18   4.213  -4.971 -10.569
  192   2HO*    A  18          2HO*        A  18   5.737  -2.968 -11.117
  193    H1*    A  18           H1*        A  18   4.227  -2.200 -10.157
  194    H8     A  18           H8         A  18   0.754  -3.352  -9.619
  195   1H6     A  18          1H6         A  18   1.059  -4.813  -5.026
  196   2H6     A  18          2H6         A  18   2.410  -5.129  -3.963
  197    H2     A  18           H2         A  18   6.133  -4.364  -6.303
  198   1H5*    G  19          1H5*        G  19   8.201  -5.931 -12.787
  199   2H5*    G  19          2H5*        G  19   7.081  -7.302 -12.907
  200    H4*    G  19           H4*        G  19   8.272  -6.080 -10.530
  201    H3*    G  19           H3*        G  19   6.729  -8.622 -11.199
  202    H2*    G  19           H2*        G  19   6.368  -8.951  -8.908
  203   2HO*    G  19          2HO*        G  19   7.735  -7.455  -7.440
  204    H1*    G  19           H1*        G  19   6.310  -6.231  -8.168
  205    H8     G  19           H8         G  19   3.836  -7.097 -10.893
  206    H1     G  19           H1         G  19   1.709  -8.216  -4.992
  207   1H2     G  19          1H2         G  19   5.035  -7.702  -4.057
  208   2H2     G  19          2H2         G  19   3.402  -8.073  -3.550
  209   1H5*    G  20          1H5*        G  20   7.982 -12.651  -9.911
  210   2H5*    G  20          2H5*        G  20   6.294 -12.123  -9.751
  211    H4*    G  20           H4*        G  20   8.655 -11.221  -8.052
  212    H3*    G  20           H3*        G  20   6.370 -13.150  -7.678
  213    H2*    G  20           H2*        G  20   5.961 -12.352  -5.459
  214   2HO*    G  20          2HO*        G  20   7.724 -12.027  -4.348
  215    H1*    G  20           H1*        G  20   6.343  -9.716  -5.895
  216    H8     G  20           H8         G  20   4.466  -9.843  -8.798
  217    H1     G  20           H1         G  20   0.697 -11.537  -3.946
  218   1H2     G  20          1H2         G  20   3.668 -12.161  -2.237
  219   2H2     G  20          2H2         G  20   1.918 -12.140  -2.202
  220   1H5*    C  21          1H5*        C  21   8.323 -14.210  -4.671
  221   2H5*    C  21          2H5*        C  21   8.387 -15.926  -4.219
  222    H4*    C  21           H4*        C  21   6.732 -14.574  -2.883
  223    H3*    C  21           H3*        C  21   6.032 -17.018  -4.487
  224    H2*    C  21           H2*        C  21   3.785 -16.511  -4.535
  225   2HO*    C  21          2HO*        C  21   3.469 -15.380  -2.059
  226    H1*    C  21           H1*        C  21   4.043 -13.894  -3.160
  227   1H4     C  21          1H4         C  21   0.626 -12.843  -8.628
  228   2H4     C  21          2H4         C  21  -0.601 -13.371  -7.498
  229    H5     C  21           H5         C  21   2.988 -12.840  -8.089
  230    H6     C  21           H6         C  21   4.653 -13.449  -6.474
  231   1H5*    C  22          1H5*        C  22   3.581 -20.005  -0.833
  232   2H5*    C  22          2H5*        C  22   3.023 -19.441  -2.421
  233    H4*    C  22           H4*        C  22   1.979 -18.667   0.320
  234    H3*    C  22           H3*        C  22   0.947 -20.104  -2.119
  235    H2*    C  22           H2*        C  22  -1.176 -19.151  -1.922
  236   2HO*    C  22          2HO*        C  22  -0.472 -18.113   0.643
  237    H1*    C  22           H1*        C  22  -0.429 -16.621  -1.226
  238   1H4     C  22          1H4         C  22   0.421 -17.071  -7.751
  239   2H4     C  22          2H4         C  22  -1.318 -17.040  -7.568
  240    H5     C  22           H5         C  22   1.943 -17.225  -5.888
  241    H6     C  22           H6         C  22   2.119 -17.401  -3.446
  242    H3T    C  22           H3T        C  22   0.479 -20.261   0.700
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1 -12.484 -17.608  -8.321
    2   2H5*    G   1          2H5*        G   1 -11.234 -17.190  -9.509
    3    H4*    G   1           H4*        G   1 -10.716 -19.017  -7.141
    4    H3*    G   1           H3*        G   1 -10.772 -16.015  -7.323
    5    H2*    G   1           H2*        G   1  -8.561 -15.781  -6.857
    6   2HO*    G   1          2HO*        G   1  -8.302 -17.827  -5.006
    7    H1*    G   1           H1*        G   1  -7.947 -18.681  -6.724
    8    H8     G   1           H8         G   1  -7.814 -16.312  -9.744
    9    H1     G   1           H1         G   1  -2.200 -17.187  -6.858
   10   1H2     G   1          1H2         G   1  -4.045 -19.031  -4.541
   11   2H2     G   1          2H2         G   1  -2.482 -18.409  -5.021
   12    H5T    G   1           H5T        G   1 -12.213 -19.780  -8.875
   13   1H5*    G   2          1H5*        G   2 -10.746 -16.026  -2.341
   14   2H5*    G   2          2H5*        G   2  -9.875 -16.145  -3.883
   15    H4*    G   2           H4*        G   2  -8.921 -17.665  -1.444
   16    H3*    G   2           H3*        G   2  -8.619 -14.713  -2.051
   17    H2*    G   2           H2*        G   2  -6.329 -14.786  -1.614
   18   2HO*    G   2          2HO*        G   2  -5.557 -15.902   0.028
   19    H1*    G   2           H1*        G   2  -5.824 -17.463  -2.319
   20    H8     G   2           H8         G   2  -7.471 -15.396  -5.030
   21    H1     G   2           H1         G   2  -1.144 -14.619  -4.722
   22   1H2     G   2          1H2         G   2  -1.371 -16.436  -1.760
   23   2H2     G   2          2H2         G   2  -0.348 -15.589  -2.895
   24   1H5*    C   3          1H5*        C   3  -6.361 -13.870   2.892
   25   2H5*    C   3          2H5*        C   3  -6.495 -12.566   1.696
   26    H4*    C   3           H4*        C   3  -4.198 -14.421   2.266
   27    H3*    C   3           H3*        C   3  -4.653 -11.466   1.884
   28    H2*    C   3           H2*        C   3  -2.876 -11.232   0.437
   29   2HO*    C   3          2HO*        C   3  -1.663 -12.884   2.379
   30    H1*    C   3           H1*        C   3  -2.263 -14.092   0.126
   31   1H4     C   3          1H4         C   3  -3.576 -11.435  -5.768
   32   2H4     C   3          2H4         C   3  -1.846 -11.249  -5.589
   33    H5     C   3           H5         C   3  -5.006 -12.249  -4.001
   34    H6     C   3           H6         C   3  -5.089 -13.014  -1.686
   35   1H5*    C   4          1H5*        C   4   0.005 -11.376   2.526
   36   2H5*    C   4          2H5*        C   4  -0.141 -10.399   4.001
   37    H4*    C   4           H4*        C   4   1.172  -9.016   2.664
   38    H3*    C   4           H3*        C   4  -1.749  -8.343   2.438
   39    H2*    C   4           H2*        C   4  -1.519  -7.180   0.498
   40   2HO*    C   4          2HO*        C   4   0.752  -6.058   0.318
   41    H1*    C   4           H1*        C   4   1.234  -7.910  -0.134
   42   1H4     C   4          1H4         C   4  -3.346  -9.233  -4.725
   43   2H4     C   4          2H4         C   4  -1.876  -8.770  -5.562
   44    H5     C   4           H5         C   4  -3.501  -9.329  -2.280
   45    H6     C   4           H6         C   4  -2.270  -9.114  -0.208
   46   1H5*    G   5          1H5*        G   5   1.131  -2.918   2.546
   47   2H5*    G   5          2H5*        G   5  -0.245  -3.547   1.625
   48    H4*    G   5           H4*        G   5   2.710  -3.709   0.928
   49    H3*    G   5           H3*        G   5   0.244  -2.372  -0.185
   50    H2*    G   5           H2*        G   5   0.873  -2.841  -2.415
   51   2HO*    G   5          2HO*        G   5   3.414  -3.079  -1.271
   52    H1*    G   5           H1*        G   5   1.596  -5.385  -2.127
   53    H8     G   5           H8         G   5  -1.126  -5.057   0.322
   54    H1     G   5           H1         G   5  -3.394  -4.343  -5.582
   55   1H2     G   5          1H2         G   5  -0.049  -4.022  -6.493
   56   2H2     G   5          2H2         G   5  -1.724  -4.027  -6.998
   57   1H5*    A   6          1H5*        A   6   4.569   1.061  -0.797
   58   2H5*    A   6          2H5*        A   6   3.287  -0.104  -1.191
   59    H4*    A   6           H4*        A   6   5.714  -1.577  -0.791
   60    H3*    A   6           H3*        A   6   6.088   1.011  -2.278
   61    H2*    A   6           H2*        A   6   6.878  -0.001  -4.214
   62   2HO*    A   6          2HO*        A   6   7.495  -2.499  -3.200
   63    H1*    A   6           H1*        A   6   5.744  -2.554  -3.977
   64    H8     A   6           H8         A   6   2.647  -1.056  -4.219
   65   1H6     A   6          1H6         A   6   2.523   0.298  -8.856
   66   2H6     A   6          2H6         A   6   3.771   0.604 -10.044
   67    H2     A   6           H2         A   6   7.706  -0.164  -8.003
   68   1H5*    A   7          1H5*        A   7   8.735   3.843  -2.146
   69   2H5*    A   7          2H5*        A   7   7.437   2.706  -2.551
   70    H4*    A   7           H4*        A   7  10.165   2.156  -3.662
   71    H3*    A   7           H3*        A   7   8.528   4.584  -4.271
   72    H2*    A   7           H2*        A   7   8.413   4.187  -6.563
   73   2HO*    A   7          2HO*        A   7  10.414   2.259  -6.730
   74    H1*    A   7           H1*        A   7   8.579   1.401  -6.631
   75    H8     A   7           H8         A   7   5.912   2.009  -4.267
   76   1H6     A   7          1H6         A   7   2.183   2.640  -7.238
   77   2H6     A   7          2H6         A   7   2.060   3.031  -8.938
   78    H2     A   7           H2         A   7   6.248   3.383 -10.498
   79   1H5*    A   8          1H5*        A   8  10.287   4.656  -8.381
   80   2H5*    A   8          2H5*        A   8  11.128   6.214  -8.249
   81    H4*    A   8           H4*        A   8   9.224   6.497  -9.728
   82    H3*    A   8           H3*        A   8   9.388   7.874  -7.124
   83    H2*    A   8           H2*        A   8   7.152   7.866  -6.628
   84   2HO*    A   8          2HO*        A   8   5.820   8.556  -8.714
   85    H1*    A   8           H1*        A   8   6.164   6.636  -9.100
   86    H8     A   8           H8         A   8   7.120   5.687  -5.472
   87   1H6     A   8          1H6         A   8   2.727   4.303  -4.003
   88   2H6     A   8          2H6         A   8   1.183   4.185  -4.816
   89    H2     A   8           H2         A   8   1.857   5.438  -9.076
   90   1H5*    U   9          1H5*        U   9   7.769  12.365  -7.509
   91   2H5*    U   9          2H5*        U   9   7.565  11.700  -5.881
   92    H4*    U   9           H4*        U   9   5.578  12.122  -8.043
   93    H3*    U   9           H3*        U   9   5.731  12.403  -5.106
   94    H2*    U   9           H2*        U   9   3.962  11.086  -4.503
   95   2HO*    U   9          2HO*        U   9   2.842  12.498  -6.582
   96    H1*    U   9           H1*        U   9   3.421   9.575  -6.783
   97    H3     U   9           H3         U   9   3.799   6.352  -3.664
   98    H5     U   9           H5         U   9   7.535   8.308  -3.561
   99    H6     U   9           H6         U   9   6.659   9.869  -5.220
  100   1H5*    C  10          1H5*        C  10   4.351  16.581  -6.679
  101   2H5*    C  10          2H5*        C  10   2.734  17.313  -6.731
  102    H4*    C  10           H4*        C  10   2.394  16.738  -8.915
  103    H3*    C  10           H3*        C  10   3.318  14.145  -8.021
  104    H2*    C  10           H2*        C  10   5.114  13.720  -9.432
  105   2HO*    C  10          2HO*        C  10   4.215  15.354 -11.524
  106    H1*    C  10           H1*        C  10   5.831  16.158 -10.441
  107   1H4     C  10          1H4         C  10   9.359  14.588  -5.086
  108   2H4     C  10          2H4         C  10  10.284  15.797  -5.948
  109    H5     C  10           H5         C  10   7.172  13.856  -5.782
  110    H6     C  10           H6         C  10   5.373  14.191  -7.412
  111   1H5*    C  11          1H5*        C  11   2.877  13.533 -14.051
  112   2H5*    C  11          2H5*        C  11   4.009  14.601 -13.195
  113    H4*    C  11           H4*        C  11   2.342  16.466 -13.428
  114    H3*    C  11           H3*        C  11   0.685  14.233 -14.396
  115    H2*    C  11           H2*        C  11   0.242  14.959 -16.559
  116   2HO*    C  11          2HO*        C  11   1.029  17.373 -16.927
  117    H1*    C  11           H1*        C  11   2.535  16.163 -17.274
  118   1H4     C  11          1H4         C  11   3.121   9.735 -18.281
  119   2H4     C  11          2H4         C  11   4.554   9.901 -17.291
  120    H5     C  11           H5         C  11   1.507  11.500 -18.559
  121    H6     C  11           H6         C  11   0.972  13.820 -18.076
  122   1H5*    C  12          1H5*        C  12  -1.536  15.825 -14.953
  123   2H5*    C  12          2H5*        C  12  -1.413  16.432 -16.614
  124    H4*    C  12           H4*        C  12  -3.646  17.756 -15.541
  125    H3*    C  12           H3*        C  12  -3.313  15.500 -13.913
  126    H2*    C  12           H2*        C  12  -3.972  13.733 -15.208
  127   2HO*    C  12          2HO*        C  12  -6.345  15.286 -15.172
  128    H1*    C  12           H1*        C  12  -5.256  14.930 -17.435
  129   1H4     C  12          1H4         C  12  -0.131  11.001 -18.873
  130   2H4     C  12          2H4         C  12  -1.263  10.860 -20.197
  131    H5     C  12           H5         C  12  -0.466  12.516 -16.998
  132    H6     C  12           H6         C  12  -1.928  14.157 -16.038
  133   1H5*    G  13          1H5*        G  13  -5.506  13.131 -11.814
  134   2H5*    G  13          2H5*        G  13  -4.349  13.885 -12.919
  135    H4*    G  13           H4*        G  13  -6.406  12.400 -14.380
  136    H3*    G  13           H3*        G  13  -5.453  11.044 -12.010
  137    H2*    G  13           H2*        G  13  -3.595   9.850 -12.740
  138   2HO*    G  13          2HO*        G  13  -4.992   9.751 -15.230
  139    H1*    G  13           H1*        G  13  -2.615  11.217 -14.811
  140    H8     G  13           H8         G  13  -1.734  13.846 -13.934
  141    H1     G  13           H1         G  13  -2.720  11.716  -8.008
  142   1H2     G  13          1H2         G  13  -4.638   9.245  -9.549
  143   2H2     G  13          2H2         G  13  -4.008   9.908  -8.058
  144   1H5*    A  14          1H5*        A  14  -5.348   6.958 -11.355
  145   2H5*    A  14          2H5*        A  14  -4.305   8.391 -11.293
  146    H4*    A  14           H4*        A  14  -3.628   6.031 -13.064
  147    H3*    A  14           H3*        A  14  -3.656   6.102 -10.136
  148    H2*    A  14           H2*        A  14  -1.449   6.484  -9.748
  149   2HO*    A  14          2HO*        A  14  -0.310   4.735 -10.022
  150    H1*    A  14           H1*        A  14  -0.439   6.492 -12.481
  151    H8     A  14           H8         A  14  -1.891   9.657 -11.196
  152   1H6     A  14          1H6         A  14   2.053  11.577  -9.118
  153   2H6     A  14          2H6         A  14   3.624  10.918  -8.723
  154    H2     A  14           H2         A  14   3.599   6.620 -10.076
  155   1H5*    A  15          1H5*        A  15  -3.346   2.612 -10.151
  156   2H5*    A  15          2H5*        A  15  -4.253   1.169 -10.654
  157    H4*    A  15           H4*        A  15  -5.708   1.306  -8.788
  158    H3*    A  15           H3*        A  15  -5.595   4.038  -8.963
  159    H2*    A  15           H2*        A  15  -3.336   4.262  -8.179
  160   2HO*    A  15          2HO*        A  15  -5.134   4.338  -5.970
  161    H1*    A  15           H1*        A  15  -3.894   2.224  -6.017
  162    H8     A  15           H8         A  15  -1.244   3.176  -8.761
  163   1H6     A  15          1H6         A  15   2.675   2.309  -6.054
  164   2H6     A  15          2H6         A  15   2.894   1.801  -4.395
  165    H2     A  15           H2         A  15  -1.196   1.230  -2.644
  166   1H5*    G  16          1H5*        G  16  -9.132   0.615  -5.792
  167   2H5*    G  16          2H5*        G  16  -8.217   2.018  -5.208
  168    H4*    G  16           H4*        G  16  -6.297   0.977  -6.718
  169    H3*    G  16           H3*        G  16  -8.311  -1.121  -6.820
  170    H2*    G  16           H2*        G  16  -7.587  -2.213  -4.875
  171   2HO*    G  16          2HO*        G  16  -6.632  -3.463  -6.610
  172    H1*    G  16           H1*        G  16  -4.849  -0.949  -5.131
  173    H8     G  16           H8         G  16  -7.781  -1.599  -2.672
  174    H1     G  16           H1         G  16  -1.956  -2.261  -0.165
  175   1H2     G  16          1H2         G  16  -0.834  -1.373  -3.346
  176   2H2     G  16          2H2         G  16  -0.417  -1.804  -1.705
  177   1H5*    U  17          1H5*        U  17  -5.172  -3.182 -11.445
  178   2H5*    U  17          2H5*        U  17  -4.381  -3.057  -9.861
  179    H4*    U  17           H4*        U  17  -4.293  -1.060 -12.149
  180    H3*    U  17           H3*        U  17  -2.355  -2.969 -10.847
  181    H2*    U  17           H2*        U  17  -0.623  -1.383 -10.840
  182   2HO*    U  17          2HO*        U  17  -1.478   0.655 -12.308
  183    H1*    U  17           H1*        U  17  -2.102   0.937 -10.520
  184    H3     U  17           H3         U  17   1.078  -0.240  -7.295
  185    H5     U  17           H5         U  17  -2.753  -1.068  -5.781
  186    H6     U  17           H6         U  17  -3.625  -0.693  -8.011
  187   1H5*    A  18          1H5*        A  18   0.843  -4.253 -13.433
  188   2H5*    A  18          2H5*        A  18   0.514  -4.395 -11.695
  189    H4*    A  18           H4*        A  18   2.738  -2.850 -13.059
  190    H3*    A  18           H3*        A  18   2.500  -5.294 -11.333
  191    H2*    A  18           H2*        A  18   4.262  -4.679  -9.922
  192   2HO*    A  18          2HO*        A  18   5.081  -2.885 -11.994
  193    H1*    A  18           H1*        A  18   3.995  -1.935  -9.947
  194    H8     A  18           H8         A  18   0.573  -3.098  -9.302
  195   1H6     A  18          1H6         A  18   0.869  -4.193  -4.613
  196   2H6     A  18          2H6         A  18   2.213  -4.373  -3.508
  197    H2     A  18           H2         A  18   5.961  -3.701  -5.908
  198   1H5*    G  19          1H5*        G  19   5.901  -4.962 -11.989
  199   2H5*    G  19          2H5*        G  19   7.174  -6.094 -12.481
  200    H4*    G  19           H4*        G  19   7.673  -5.658 -10.215
  201    H3*    G  19           H3*        G  19   6.108  -8.222 -10.600
  202    H2*    G  19           H2*        G  19   6.000  -8.572  -8.280
  203   2HO*    G  19          2HO*        G  19   7.465  -6.849  -7.049
  204    H1*    G  19           H1*        G  19   5.770  -5.939  -7.452
  205    H8     G  19           H8         G  19   3.544  -6.936 -10.375
  206    H1     G  19           H1         G  19   0.947  -8.004  -4.656
  207   1H2     G  19          1H2         G  19   4.109  -7.221  -3.419
  208   2H2     G  19          2H2         G  19   2.461  -7.689  -3.066
  209   1H5*    G  20          1H5*        G  20   8.039 -12.070  -8.804
  210   2H5*    G  20          2H5*        G  20   6.274 -11.892  -8.743
  211    H4*    G  20           H4*        G  20   8.342 -10.627  -6.913
  212    H3*    G  20           H3*        G  20   6.200 -12.729  -6.671
  213    H2*    G  20           H2*        G  20   5.512 -11.899  -4.539
  214   2HO*    G  20          2HO*        G  20   6.915 -10.214  -3.533
  215    H1*    G  20           H1*        G  20   5.766  -9.249  -5.021
  216    H8     G  20           H8         G  20   4.115  -9.587  -8.037
  217    H1     G  20           H1         G  20   0.173 -11.488  -3.399
  218   1H2     G  20          1H2         G  20   3.065 -11.792  -1.482
  219   2H2     G  20          2H2         G  20   1.327 -11.967  -1.570
  220   1H5*    C  21          1H5*        C  21   6.764 -16.586  -6.000
  221   2H5*    C  21          2H5*        C  21   6.325 -14.903  -6.355
  222    H4*    C  21           H4*        C  21   7.277 -15.339  -3.591
  223    H3*    C  21           H3*        C  21   4.996 -16.946  -4.723
  224    H2*    C  21           H2*        C  21   3.555 -16.345  -2.935
  225   2HO*    C  21          2HO*        C  21   4.306 -15.719  -0.959
  226    H1*    C  21           H1*        C  21   4.377 -13.762  -2.567
  227   1H4     C  21          1H4         C  21   0.085 -12.860  -7.353
  228   2H4     C  21          2H4         C  21  -0.913 -13.713  -6.198
  229    H5     C  21           H5         C  21   2.470 -12.577  -7.083
  230    H6     C  21           H6         C  21   4.382 -13.090  -5.711
  231   1H5*    C  22          1H5*        C  22   4.724 -18.574  -1.806
  232   2H5*    C  22          2H5*        C  22   4.701 -20.338  -1.616
  233    H4*    C  22           H4*        C  22   2.424 -19.644  -1.460
  234    H3*    C  22           H3*        C  22   3.152 -20.697  -4.205
  235    H2*    C  22           H2*        C  22   1.051 -20.203  -4.988
  236   2HO*    C  22          2HO*        C  22  -0.093 -20.280  -2.390
  237    H1*    C  22           H1*        C  22   0.381 -18.317  -2.859
  238   1H4     C  22          1H4         C  22   0.897 -15.067  -8.578
  239   2H4     C  22          2H4         C  22  -0.738 -15.689  -8.596
  240    H5     C  22           H5         C  22   2.500 -15.615  -6.859
  241    H6     C  22           H6         C  22   2.881 -16.889  -4.816
  242    H3T    C  22           H3T        C  22   2.148 -21.651  -1.771
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  -8.480 -21.651  -9.253
    2   2H5*    G   1          2H5*        G   1 -10.108 -20.984  -9.482
    3    H4*    G   1           H4*        G   1  -9.903 -20.707  -7.199
    4    H3*    G   1           H3*        G   1  -8.792 -18.258  -8.582
    5    H2*    G   1           H2*        G   1  -8.012 -17.375  -6.557
    6   2HO*    G   1          2HO*        G   1  -8.856 -18.861  -4.596
    7    H1*    G   1           H1*        G   1  -7.247 -19.707  -5.303
    8    H8     G   1           H8         G   1  -6.534 -18.539  -8.931
    9    H1     G   1           H1         G   1  -1.645 -17.962  -4.880
   10   1H2     G   1          1H2         G   1  -3.870 -19.241  -2.519
   11   2H2     G   1          2H2         G   1  -2.265 -18.630  -2.855
   12    H5T    G   1           H5T        G   1  -8.953 -19.925 -10.947
   13   1H5*    G   2          1H5*        G   2 -10.183 -14.624  -5.293
   14   2H5*    G   2          2H5*        G   2  -8.946 -15.415  -6.289
   15    H4*    G   2           H4*        G   2  -9.444 -16.333  -3.448
   16    H3*    G   2           H3*        G   2  -7.970 -13.848  -4.371
   17    H2*    G   2           H2*        G   2  -6.180 -14.331  -2.922
   18   2HO*    G   2          2HO*        G   2  -7.844 -16.238  -1.595
   19    H1*    G   2           H1*        G   2  -6.199 -17.080  -3.110
   20    H8     G   2           H8         G   2  -6.331 -16.006  -6.591
   21    H1     G   2           H1         G   2  -0.679 -14.572  -4.024
   22   1H2     G   2          1H2         G   2  -2.252 -15.214  -0.979
   23   2H2     G   2          2H2         G   2  -0.784 -14.759  -1.815
   24   1H5*    C   3          1H5*        C   3  -7.294 -13.152   1.460
   25   2H5*    C   3          2H5*        C   3  -7.636 -11.703   0.497
   26    H4*    C   3           H4*        C   3  -5.133 -13.244   0.802
   27    H3*    C   3           H3*        C   3  -5.977 -10.408   0.261
   28    H2*    C   3           H2*        C   3  -4.506 -10.146  -1.459
   29   2HO*    C   3          2HO*        C   3  -2.591 -11.350   0.283
   30    H1*    C   3           H1*        C   3  -3.343 -12.887  -1.182
   31   1H4     C   3          1H4         C   3  -4.419 -11.919  -7.597
   32   2H4     C   3          2H4         C   3  -2.696 -11.694  -7.390
   33    H5     C   3           H5         C   3  -5.946 -12.197  -5.747
   34    H6     C   3           H6         C   3  -6.151 -12.240  -3.310
   35   1H5*    C   4          1H5*        C   4  -0.252 -12.022   2.358
   36   2H5*    C   4          2H5*        C   4  -1.299 -10.834   3.162
   37    H4*    C   4           H4*        C   4   0.879 -10.090   1.803
   38    H3*    C   4           H3*        C   4  -1.845  -8.780   2.064
   39    H2*    C   4           H2*        C   4  -1.468  -7.344   0.362
   40   2HO*    C   4          2HO*        C   4   0.315  -6.485   1.761
   41    H1*    C   4           H1*        C   4   0.938  -8.647  -0.701
   42   1H4     C   4          1H4         C   4  -4.124  -7.826  -4.879
   43   2H4     C   4          2H4         C   4  -2.654  -7.679  -5.815
   44    H5     C   4           H5         C   4  -4.128  -8.293  -2.501
   45    H6     C   4           H6         C   4  -2.771  -8.818  -0.574
   46   1H5*    G   5          1H5*        G   5   3.548  -6.216   2.409
   47   2H5*    G   5          2H5*        G   5   1.882  -5.631   2.245
   48    H4*    G   5           H4*        G   5   3.965  -6.095   0.117
   49    H3*    G   5           H3*        G   5   2.046  -3.901   0.944
   50    H2*    G   5           H2*        G   5   1.797  -3.208  -1.279
   51   2HO*    G   5          2HO*        G   5   3.425  -4.232  -2.866
   52    H1*    G   5           H1*        G   5   2.038  -5.675  -2.550
   53    H8     G   5           H8         G   5  -0.378  -5.437   0.415
   54    H1     G   5           H1         G   5  -3.007  -3.752  -5.132
   55   1H2     G   5          1H2         G   5   0.242  -3.916  -6.377
   56   2H2     G   5          2H2         G   5  -1.448  -3.598  -6.699
   57   1H5*    A   6          1H5*        A   6   4.316   0.322  -0.779
   58   2H5*    A   6          2H5*        A   6   3.352  -0.221  -2.167
   59    H4*    A   6           H4*        A   6   6.046  -1.380  -1.339
   60    H3*    A   6           H3*        A   6   5.197   0.647  -3.438
   61    H2*    A   6           H2*        A   6   6.951  -0.203  -4.852
   62   2HO*    A   6          2HO*        A   6   7.769  -1.631  -2.518
   63    H1*    A   6           H1*        A   6   6.310  -2.798  -4.509
   64    H8     A   6           H8         A   6   2.918  -1.630  -4.451
   65   1H6     A   6          1H6         A   6   2.192  -0.241  -9.020
   66   2H6     A   6          2H6         A   6   3.273   0.068 -10.362
   67    H2     A   6           H2         A   6   7.452  -0.614  -8.853
   68   1H5*    A   7          1H5*        A   7  10.376   2.174  -2.816
   69   2H5*    A   7          2H5*        A   7   8.655   2.435  -3.161
   70    H4*    A   7           H4*        A   7  10.771   1.287  -5.017
   71    H3*    A   7           H3*        A   7   9.139   3.834  -4.881
   72    H2*    A   7           H2*        A   7   8.793   3.818  -7.206
   73   2HO*    A   7          2HO*        A   7  10.878   1.885  -7.463
   74    H1*    A   7           H1*        A   7   8.685   1.076  -7.624
   75    H8     A   7           H8         A   7   6.411   1.824  -4.794
   76   1H6     A   7          1H6         A   7   2.386   2.718  -7.272
   77   2H6     A   7          2H6         A   7   2.077   3.147  -8.940
   78    H2     A   7           H2         A   7   6.054   3.251 -11.010
   79   1H5*    A   8          1H5*        A   8  10.307   4.101  -8.823
   80   2H5*    A   8          2H5*        A   8  11.388   5.506  -8.853
   81    H4*    A   8           H4*        A   8   9.602   6.009 -10.347
   82    H3*    A   8           H3*        A   8  10.019   7.560  -7.998
   83    H2*    A   8           H2*        A   8   7.995   7.296  -6.986
   84   2HO*    A   8          2HO*        A   8   6.380   8.637  -7.830
   85    H1*    A   8           H1*        A   8   6.438   6.597  -9.421
   86    H8     A   8           H8         A   8   7.779   5.379  -6.107
   87   1H6     A   8          1H6         A   8   3.513   4.093  -4.133
   88   2H6     A   8          2H6         A   8   1.878   4.109  -4.751
   89    H2     A   8           H2         A   8   2.103   5.641  -8.982
   90   1H5*    U   9          1H5*        U   9   7.275  11.028 -10.952
   91   2H5*    U   9          2H5*        U   9   8.005  12.324  -9.983
   92    H4*    U   9           H4*        U   9   6.012  12.814  -9.050
   93    H3*    U   9           H3*        U   9   6.512  10.335  -7.820
   94    H2*    U   9           H2*        U   9   4.876   8.875  -8.618
   95   2HO*    U   9          2HO*        U   9   2.640  10.147  -8.797
   96    H1*    U   9           H1*        U   9   3.469  10.223 -10.539
   97    H3     U   9           H3         U   9   5.274   7.971 -14.016
   98    H5     U   9           H5         U   9   7.990   7.369 -10.843
   99    H6     U   9           H6         U   9   6.725   8.975  -9.560
  100   1H5*    C  10          1H5*        C  10   3.283  12.156  -6.386
  101   2H5*    C  10          2H5*        C  10   2.621  13.736  -5.912
  102    H4*    C  10           H4*        C  10   1.864  12.748  -4.032
  103    H3*    C  10           H3*        C  10   4.841  12.799  -3.595
  104    H2*    C  10           H2*        C  10   4.774  11.196  -1.909
  105   2HO*    C  10          2HO*        C  10   3.278  11.322  -0.412
  106    H1*    C  10           H1*        C  10   2.598   9.677  -2.731
  107   1H4     C  10          1H4         C  10   8.262   7.434  -5.304
  108   2H4     C  10          2H4         C  10   8.211   6.745  -3.700
  109    H5     C  10           H5         C  10   6.617   9.003  -6.115
  110    H6     C  10           H6         C  10   4.577  10.229  -5.595
  111   1H5*    C  11          1H5*        C  11   1.869  14.904  -3.853
  112   2H5*    C  11          2H5*        C  11   2.885  15.743  -5.039
  113    H4*    C  11           H4*        C  11   0.861  17.217  -3.330
  114    H3*    C  11           H3*        C  11   0.281  15.279  -5.394
  115    H2*    C  11           H2*        C  11  -0.075  16.586  -7.263
  116   2HO*    C  11          2HO*        C  11  -0.958  18.837  -6.869
  117    H1*    C  11           H1*        C  11   1.066  19.000  -6.695
  118   1H4     C  11          1H4         C  11   5.024  15.110 -10.147
  119   2H4     C  11          2H4         C  11   5.621  16.738 -10.377
  120    H5     C  11           H5         C  11   3.170  14.601  -8.678
  121    H6     C  11           H6         C  11   1.651  15.429  -7.030
  122   1H5*    C  12          1H5*        C  12  -3.849  16.060  -5.294
  123   2H5*    C  12          2H5*        C  12  -2.371  16.315  -6.240
  124    H4*    C  12           H4*        C  12  -4.916  17.858  -6.818
  125    H3*    C  12           H3*        C  12  -4.403  15.007  -7.244
  126    H2*    C  12           H2*        C  12  -4.008  14.994  -9.495
  127   2HO*    C  12          2HO*        C  12  -5.602  17.031 -10.352
  128    H1*    C  12           H1*        C  12  -3.894  17.776 -10.100
  129   1H4     C  12          1H4         C  12   1.905  14.655 -10.808
  130   2H4     C  12          2H4         C  12   1.629  15.555 -12.282
  131    H5     C  12           H5         C  12   0.355  14.637  -8.961
  132    H6     C  12           H6         C  12  -1.757  15.489  -8.133
  133   1H5*    G  13          1H5*        G  13  -6.713  14.253 -10.880
  134   2H5*    G  13          2H5*        G  13  -6.926  12.589 -10.301
  135    H4*    G  13           H4*        G  13  -4.861  13.414 -11.902
  136    H3*    G  13           H3*        G  13  -5.305  11.104 -10.027
  137    H2*    G  13           H2*        G  13  -3.001  10.523  -9.975
  138   2HO*    G  13          2HO*        G  13  -1.779  12.273 -11.532
  139    H1*    G  13           H1*        G  13  -1.973  12.949  -9.582
  140    H8     G  13           H8         G  13  -2.547  13.886  -7.055
  141    H1     G  13           H1         G  13  -6.182   8.750  -6.053
  142   1H2     G  13          1H2         G  13  -5.966   8.302  -9.501
  143   2H2     G  13          2H2         G  13  -6.597   7.726  -7.976
  144   1H5*    A  14          1H5*        A  14  -5.073   7.253 -10.610
  145   2H5*    A  14          2H5*        A  14  -4.341   8.841 -10.311
  146    H4*    A  14           H4*        A  14  -2.884   7.270 -12.331
  147    H3*    A  14           H3*        A  14  -3.650   5.886  -9.834
  148    H2*    A  14           H2*        A  14  -1.631   5.955  -8.749
  149   2HO*    A  14          2HO*        A  14  -0.751   4.463 -10.199
  150    H1*    A  14           H1*        A  14  -0.102   7.753 -10.318
  151    H8     A  14           H8         A  14  -3.081   9.092  -8.369
  152   1H6     A  14          1H6         A  14  -0.889  10.019  -4.170
  153   2H6     A  14          2H6         A  14   0.721   9.696  -3.568
  154    H2     A  14           H2         A  14   2.910   7.502  -6.823
  155   1H5*    A  15          1H5*        A  15  -2.864   2.934  -9.630
  156   2H5*    A  15          2H5*        A  15  -3.978   1.762 -10.371
  157    H4*    A  15           H4*        A  15  -5.469   1.848  -8.551
  158    H3*    A  15           H3*        A  15  -5.152   4.540  -8.439
  159    H2*    A  15           H2*        A  15  -2.875   4.510  -7.663
  160   2HO*    A  15          2HO*        A  15  -3.899   4.312  -5.081
  161    H1*    A  15           H1*        A  15  -3.562   2.404  -5.617
  162    H8     A  15           H8         A  15  -1.008   3.209  -8.436
  163   1H6     A  15          1H6         A  15   3.005   2.154  -5.967
  164   2H6     A  15          2H6         A  15   3.295   1.633  -4.322
  165    H2     A  15           H2         A  15  -0.723   1.213  -2.359
  166   1H5*    G  16          1H5*        G  16  -8.696   0.897  -5.434
  167   2H5*    G  16          2H5*        G  16  -7.557   2.167  -4.947
  168    H4*    G  16           H4*        G  16  -5.896   0.770  -6.501
  169    H3*    G  16           H3*        G  16  -8.190  -1.017  -6.314
  170    H2*    G  16           H2*        G  16  -7.459  -2.088  -4.362
  171   2HO*    G  16          2HO*        G  16  -5.512  -2.897  -6.291
  172    H1*    G  16           H1*        G  16  -4.613  -1.202  -4.893
  173    H8     G  16           H8         G  16  -7.419  -1.494  -2.252
  174    H1     G  16           H1         G  16  -1.518  -2.392  -0.002
  175   1H2     G  16          1H2         G  16  -0.504  -1.609  -3.245
  176   2H2     G  16          2H2         G  16  -0.037  -2.064  -1.622
  177   1H5*    U  17          1H5*        U  17  -4.785  -3.156 -10.167
  178   2H5*    U  17          2H5*        U  17  -4.504  -2.079  -8.784
  179    H4*    U  17           H4*        U  17  -4.513  -0.980 -11.601
  180    H3*    U  17           H3*        U  17  -2.417  -2.712 -10.306
  181    H2*    U  17           H2*        U  17  -0.671  -1.204 -10.781
  182   2HO*    U  17          2HO*        U  17  -1.506   0.752 -12.199
  183    H1*    U  17           H1*        U  17  -1.930   1.144 -10.263
  184    H3     U  17           H3         U  17   1.274  -0.460  -7.265
  185    H5     U  17           H5         U  17  -2.535  -0.939  -5.544
  186    H6     U  17           H6         U  17  -3.495  -0.418  -7.713
  187   1H5*    A  18          1H5*        A  18  -0.011  -1.776 -13.442
  188   2H5*    A  18          2H5*        A  18   0.272  -3.298 -14.311
  189    H4*    A  18           H4*        A  18   2.400  -2.230 -13.627
  190    H3*    A  18           H3*        A  18   1.566  -4.917 -12.548
  191    H2*    A  18           H2*        A  18   3.284  -4.977 -10.983
  192   2HO*    A  18          2HO*        A  18   5.091  -3.200 -11.715
  193    H1*    A  18           H1*        A  18   3.810  -2.193 -10.733
  194    H8     A  18           H8         A  18   0.327  -2.857  -9.694
  195   1H6     A  18          1H6         A  18   1.022  -4.299  -5.144
  196   2H6     A  18          2H6         A  18   2.448  -4.742  -4.234
  197    H2     A  18           H2         A  18   5.927  -4.444  -7.035
  198   1H5*    G  19          1H5*        G  19   5.191  -5.439 -13.342
  199   2H5*    G  19          2H5*        G  19   5.831  -7.007 -13.878
  200    H4*    G  19           H4*        G  19   6.354  -6.663 -11.514
  201    H3*    G  19           H3*        G  19   4.393  -8.803 -12.326
  202    H2*    G  19           H2*        G  19   3.465  -9.011 -10.338
  203   2HO*    G  19          2HO*        G  19   6.089  -8.781  -9.252
  204    H1*    G  19           H1*        G  19   4.865  -6.822  -8.972
  205    H8     G  19           H8         G  19   1.754  -6.627 -11.151
  206    H1     G  19           H1         G  19   0.548  -7.867  -5.027
  207   1H2     G  19          1H2         G  19   4.004  -8.033  -4.707
  208   2H2     G  19          2H2         G  19   2.445  -8.153  -3.924
  209   1H5*    G  20          1H5*        G  20   8.690  -8.246  -7.849
  210   2H5*    G  20          2H5*        G  20   8.685  -9.816  -8.674
  211    H4*    G  20           H4*        G  20   7.558  -9.197  -6.162
  212    H3*    G  20           H3*        G  20   7.648 -11.573  -7.993
  213    H2*    G  20           H2*        G  20   5.545 -12.270  -7.418
  214   2HO*    G  20          2HO*        G  20   6.690 -13.001  -5.449
  215    H1*    G  20           H1*        G  20   5.082 -10.047  -5.467
  216    H8     G  20           H8         G  20   4.003 -10.626  -9.156
  217    H1     G  20           H1         G  20  -0.645 -11.117  -4.785
  218   1H2     G  20          1H2         G  20   1.920 -10.740  -2.474
  219   2H2     G  20          2H2         G  20   0.212 -10.987  -2.760
  220   1H5*    C  21          1H5*        C  21   7.476 -11.416  -1.930
  221   2H5*    C  21          2H5*        C  21   8.025 -13.103  -1.947
  222    H4*    C  21           H4*        C  21   5.628 -12.414  -0.979
  223    H3*    C  21           H3*        C  21   6.517 -14.874  -2.489
  224    H2*    C  21           H2*        C  21   4.336 -15.471  -2.961
  225   2HO*    C  21          2HO*        C  21   4.082 -15.941  -0.687
  226    H1*    C  21           H1*        C  21   3.122 -12.961  -1.989
  227   1H4     C  21          1H4         C  21   1.308 -13.827  -8.200
  228   2H4     C  21          2H4         C  21  -0.092 -14.275  -7.251
  229    H5     C  21           H5         C  21   3.442 -13.279  -7.200
  230    H6     C  21           H6         C  21   4.706 -13.102  -5.153
  231   1H5*    C  22          1H5*        C  22   5.173 -18.862   0.407
  232   2H5*    C  22          2H5*        C  22   4.559 -18.252  -1.144
  233    H4*    C  22           H4*        C  22   3.037 -18.603   1.459
  234    H3*    C  22           H3*        C  22   2.986 -19.822  -1.302
  235    H2*    C  22           H2*        C  22   0.643 -20.006  -1.254
  236   2HO*    C  22          2HO*        C  22  -0.302 -20.462   0.580
  237    H1*    C  22           H1*        C  22   0.107 -17.564  -0.174
  238   1H4     C  22          1H4         C  22   1.631 -16.449  -6.501
  239   2H4     C  22          2H4         C  22  -0.034 -16.989  -6.537
  240    H5     C  22           H5         C  22   2.976 -16.451  -4.501
  241    H6     C  22           H6         C  22   3.014 -16.971  -2.104
  242    H3T    C  22           H3T        C  22   2.011 -21.381   0.584
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1 -10.397 -17.121 -10.062
    2   2H5*    G   1          2H5*        G   1 -11.387 -18.499  -9.538
    3    H4*    G   1           H4*        G   1 -10.621 -18.355  -7.308
    4    H3*    G   1           H3*        G   1 -10.057 -15.491  -8.014
    5    H2*    G   1           H2*        G   1  -7.913 -15.561  -7.204
    6   2HO*    G   1          2HO*        G   1  -8.894 -17.127  -5.025
    7    H1*    G   1           H1*        G   1  -7.945 -18.436  -6.475
    8    H8     G   1           H8         G   1  -6.910 -16.853  -9.791
    9    H1     G   1           H1         G   1  -2.020 -18.015  -5.873
   10   1H2     G   1          1H2         G   1  -4.483 -18.844  -3.552
   11   2H2     G   1          2H2         G   1  -2.776 -18.663  -3.893
   12    H5T    G   1           H5T        G   1 -11.753 -15.757  -8.896
   13   1H5*    G   2          1H5*        G   2 -10.352 -17.096  -3.796
   14   2H5*    G   2          2H5*        G   2 -10.918 -15.945  -2.570
   15    H4*    G   2           H4*        G   2  -9.053 -17.200  -1.651
   16    H3*    G   2           H3*        G   2  -8.508 -14.304  -2.389
   17    H2*    G   2           H2*        G   2  -6.291 -14.537  -1.651
   18   2HO*    G   2          2HO*        G   2  -5.785 -16.564  -0.372
   19    H1*    G   2           H1*        G   2  -5.916 -17.217  -2.347
   20    H8     G   2           H8         G   2  -7.258 -15.018  -5.145
   21    H1     G   2           H1         G   2  -0.902 -14.919  -4.572
   22   1H2     G   2          1H2         G   2  -1.454 -16.639  -1.596
   23   2H2     G   2          2H2         G   2  -0.298 -15.910  -2.687
   24   1H5*    C   3          1H5*        C   3  -6.046 -15.140   1.451
   25   2H5*    C   3          2H5*        C   3  -6.305 -13.560   2.216
   26    H4*    C   3           H4*        C   3  -3.882 -14.259   1.491
   27    H3*    C   3           H3*        C   3  -5.275 -11.610   1.238
   28    H2*    C   3           H2*        C   3  -3.911 -10.911  -0.479
   29   2HO*    C   3          2HO*        C   3  -1.525 -11.302  -0.121
   30    H1*    C   3           H1*        C   3  -2.310 -13.439  -0.543
   31   1H4     C   3          1H4         C   3  -3.968 -11.537  -6.669
   32   2H4     C   3          2H4         C   3  -2.237 -11.322  -6.550
   33    H5     C   3           H5         C   3  -5.337 -12.271  -4.816
   34    H6     C   3           H6         C   3  -5.354 -12.804  -2.437
   35   1H5*    C   4          1H5*        C   4   0.343 -12.177   1.646
   36   2H5*    C   4          2H5*        C   4   0.686 -11.591   3.287
   37    H4*    C   4           H4*        C   4   1.653  -9.851   2.187
   38    H3*    C   4           H3*        C   4  -1.312  -9.282   2.242
   39    H2*    C   4           H2*        C   4  -1.269  -7.824   0.524
   40   2HO*    C   4          2HO*        C   4   0.310  -6.614   2.083
   41    H1*    C   4           H1*        C   4   1.450  -8.347  -0.420
   42   1H4     C   4          1H4         C   4  -3.423  -9.358  -4.794
   43   2H4     C   4          2H4         C   4  -2.016  -8.843  -5.701
   44    H5     C   4           H5         C   4  -3.398  -9.675  -2.385
   45    H6     C   4           H6         C   4  -2.031  -9.624  -0.387
   46   1H5*    G   5          1H5*        G   5   3.207  -5.384   2.675
   47   2H5*    G   5          2H5*        G   5   1.451  -5.234   2.465
   48    H4*    G   5           H4*        G   5   3.629  -5.251   0.381
   49    H3*    G   5           H3*        G   5   1.180  -3.577   1.047
   50    H2*    G   5           H2*        G   5   0.966  -3.004  -1.227
   51   2HO*    G   5          2HO*        G   5   3.621  -3.060  -1.140
   52    H1*    G   5           H1*        G   5   1.805  -5.430  -2.320
   53    H8     G   5           H8         G   5  -0.791  -5.696   0.468
   54    H1     G   5           H1         G   5  -3.351  -4.502  -5.241
   55   1H2     G   5          1H2         G   5  -0.059  -4.077  -6.296
   56   2H2     G   5          2H2         G   5  -1.757  -4.049  -6.712
   57   1H5*    A   6          1H5*        A   6   2.683   0.996  -0.972
   58   2H5*    A   6          2H5*        A   6   2.184  -0.026  -2.336
   59    H4*    A   6           H4*        A   6   4.712  -0.531  -0.724
   60    H3*    A   6           H3*        A   6   4.202   1.258  -3.118
   61    H2*    A   6           H2*        A   6   6.263   0.535  -4.096
   62   2HO*    A   6          2HO*        A   6   6.822  -1.042  -1.794
   63    H1*    A   6           H1*        A   6   5.874  -2.091  -3.734
   64    H8     A   6           H8         A   6   2.389  -1.161  -4.239
   65   1H6     A   6          1H6         A   6   2.288  -0.206  -8.969
   66   2H6     A   6          2H6         A   6   3.538   0.065 -10.161
   67    H2     A   6           H2         A   6   7.476  -0.320  -8.028
   68   1H5*    A   7          1H5*        A   7   8.817   3.360  -1.420
   69   2H5*    A   7          2H5*        A   7   7.236   3.246  -2.219
   70    H4*    A   7           H4*        A   7   9.935   2.365  -3.303
   71    H3*    A   7           H3*        A   7   7.874   4.480  -4.032
   72    H2*    A   7           H2*        A   7   8.506   4.239  -6.311
   73   2HO*    A   7          2HO*        A   7  10.462   2.450  -6.313
   74    H1*    A   7           H1*        A   7   8.750   1.496  -6.304
   75    H8     A   7           H8         A   7   5.707   2.597  -4.338
   76   1H6     A   7          1H6         A   7   2.488   2.657  -7.914
   77   2H6     A   7          2H6         A   7   2.628   2.580  -9.656
   78    H2     A   7           H2         A   7   7.012   2.202 -10.588
   79   1H5*    A   8          1H5*        A   8  11.254   5.430  -6.388
   80   2H5*    A   8          2H5*        A   8  11.138   7.156  -6.780
   81    H4*    A   8           H4*        A   8  10.774   5.416  -8.692
   82    H3*    A   8           H3*        A   8   9.407   7.962  -8.077
   83    H2*    A   8           H2*        A   8   7.332   7.412  -8.814
   84   2HO*    A   8          2HO*        A   8   8.771   6.352 -11.036
   85    H1*    A   8           H1*        A   8   7.784   4.648  -9.602
   86    H8     A   8           H8         A   8   7.143   5.905  -6.122
   87   1H6     A   8          1H6         A   8   2.322   5.431  -5.962
   88   2H6     A   8          2H6         A   8   1.123   5.128  -7.200
   89    H2     A   8           H2         A   8   3.356   4.659 -11.085
   90   1H5*    U   9          1H5*        U   9   8.090   8.725 -13.108
   91   2H5*    U   9          2H5*        U   9   9.046  10.159 -12.683
   92    H4*    U   9           H4*        U   9   7.194  11.380 -12.270
   93    H3*    U   9           H3*        U   9   6.739   9.209 -10.349
   94    H2*    U   9           H2*        U   9   4.421   8.865 -10.662
   95   2HO*    U   9          2HO*        U   9   4.127  11.251 -12.137
   96    H1*    U   9           H1*        U   9   4.091   9.246 -13.270
   97    H3     U   9           H3         U   9   6.046   5.543 -15.181
   98    H5     U   9           H5         U   9   6.442   5.098 -11.024
   99    H6     U   9           H6         U   9   5.719   7.368 -10.747
  100   1H5*    C  10          1H5*        C  10   6.548  12.768  -6.307
  101   2H5*    C  10          2H5*        C  10   5.524  11.694  -7.282
  102    H4*    C  10           H4*        C  10   5.268  14.699  -6.923
  103    H3*    C  10           H3*        C  10   3.658  12.256  -6.152
  104    H2*    C  10           H2*        C  10   1.640  13.324  -6.670
  105   2HO*    C  10          2HO*        C  10   3.086  15.788  -6.486
  106    H1*    C  10           H1*        C  10   2.522  14.948  -8.763
  107   1H4     C  10          1H4         C  10   0.463   9.178 -11.189
  108   2H4     C  10          2H4         C  10  -0.935  10.226 -11.254
  109    H5     C  10           H5         C  10   2.528   9.787 -10.125
  110    H6     C  10           H6         C  10   3.748  11.589  -8.995
  111   1H5*    C  11          1H5*        C  11   0.708  14.766  -4.701
  112   2H5*    C  11          2H5*        C  11   1.291  16.422  -4.944
  113    H4*    C  11           H4*        C  11   0.524  15.972  -2.162
  114    H3*    C  11           H3*        C  11  -1.248  14.646  -3.965
  115    H2*    C  11           H2*        C  11  -2.715  16.280  -4.672
  116   2HO*    C  11          2HO*        C  11  -2.653  17.149  -1.950
  117    H1*    C  11           H1*        C  11  -1.751  18.679  -3.756
  118   1H4     C  11          1H4         C  11  -0.197  17.521 -10.014
  119   2H4     C  11          2H4         C  11  -0.211  19.261  -9.828
  120    H5     C  11           H5         C  11  -0.575  16.013  -8.162
  121    H6     C  11           H6         C  11  -0.942  15.792  -5.802
  122   1H5*    C  12          1H5*        C  12  -3.969  13.820  -3.934
  123   2H5*    C  12          2H5*        C  12  -4.448  15.449  -3.410
  124    H4*    C  12           H4*        C  12  -6.331  13.623  -2.280
  125    H3*    C  12           H3*        C  12  -5.323  12.407  -4.555
  126    H2*    C  12           H2*        C  12  -6.052  13.674  -6.287
  127   2HO*    C  12          2HO*        C  12  -8.720  13.565  -5.940
  128    H1*    C  12           H1*        C  12  -8.218  15.174  -5.164
  129   1H4     C  12          1H4         C  12  -3.438  18.685  -8.118
  130   2H4     C  12          2H4         C  12  -4.927  19.569  -8.366
  131    H5     C  12           H5         C  12  -3.326  16.607  -6.857
  132    H6     C  12           H6         C  12  -4.571  15.040  -5.548
  133   1H5*    G  13          1H5*        G  13  -7.925   9.346  -5.751
  134   2H5*    G  13          2H5*        G  13  -6.889  10.655  -5.149
  135    H4*    G  13           H4*        G  13  -8.178  10.910  -7.862
  136    H3*    G  13           H3*        G  13  -5.998   9.003  -7.077
  137    H2*    G  13           H2*        G  13  -4.463   9.794  -8.684
  138   2HO*    G  13          2HO*        G  13  -5.231  11.352 -10.321
  139    H1*    G  13           H1*        G  13  -4.837  12.444  -8.402
  140    H8     G  13           H8         G  13  -3.567  13.326  -6.219
  141    H1     G  13           H1         G  13  -2.423   7.331  -4.397
  142   1H2     G  13          1H2         G  13  -4.823   6.478  -6.774
  143   2H2     G  13          2H2         G  13  -3.710   5.936  -5.537
  144   1H5*    A  14          1H5*        A  14  -4.782   9.406 -10.997
  145   2H5*    A  14          2H5*        A  14  -5.555   7.989 -11.735
  146    H4*    A  14           H4*        A  14  -3.383   7.776 -12.534
  147    H3*    A  14           H3*        A  14  -3.960   6.099 -10.187
  148    H2*    A  14           H2*        A  14  -1.926   6.263  -9.163
  149   2HO*    A  14          2HO*        A  14  -0.113   5.869 -10.988
  150    H1*    A  14           H1*        A  14  -0.543   7.787 -11.273
  151    H8     A  14           H8         A  14  -2.363   9.354  -8.335
  152   1H6     A  14          1H6         A  14   1.455  10.047  -5.422
  153   2H6     A  14          2H6         A  14   3.118   9.512  -5.503
  154    H2     A  14           H2         A  14   3.521   7.116  -9.287
  155   1H5*    A  15          1H5*        A  15  -3.237   4.074 -10.231
  156   2H5*    A  15          2H5*        A  15  -2.597   2.524 -10.752
  157    H4*    A  15           H4*        A  15  -5.060   1.704 -10.043
  158    H3*    A  15           H3*        A  15  -5.537   4.246  -9.363
  159    H2*    A  15           H2*        A  15  -3.486   4.625  -8.147
  160   2HO*    A  15          2HO*        A  15  -5.704   4.520  -6.746
  161    H1*    A  15           H1*        A  15  -3.779   2.094  -6.569
  162    H8     A  15           H8         A  15  -1.199   3.220  -9.249
  163   1H6     A  15          1H6         A  15   2.697   2.956  -6.394
  164   2H6     A  15          2H6         A  15   2.904   2.746  -4.670
  165    H2     A  15           H2         A  15  -1.198   2.307  -2.906
  166   1H5*    G  16          1H5*        G  16  -8.481   1.253  -5.370
  167   2H5*    G  16          2H5*        G  16  -7.192   2.456  -5.579
  168    H4*    G  16           H4*        G  16  -6.383   0.934  -7.528
  169    H3*    G  16           H3*        G  16  -8.622  -0.640  -6.460
  170    H2*    G  16           H2*        G  16  -7.455  -2.304  -5.405
  171   2HO*    G  16          2HO*        G  16  -5.455  -3.048  -6.739
  172    H1*    G  16           H1*        G  16  -4.736  -1.401  -5.830
  173    H8     G  16           H8         G  16  -7.756  -1.488  -3.440
  174    H1     G  16           H1         G  16  -2.090  -1.888  -0.541
  175   1H2     G  16          1H2         G  16  -0.772  -1.273  -3.710
  176   2H2     G  16          2H2         G  16  -0.462  -1.563  -2.013
  177   1H5*    U  17          1H5*        U  17  -4.922  -4.022 -10.362
  178   2H5*    U  17          2H5*        U  17  -4.133  -3.334  -8.928
  179    H4*    U  17           H4*        U  17  -4.581  -1.956 -11.604
  180    H3*    U  17           H3*        U  17  -2.237  -3.274 -10.247
  181    H2*    U  17           H2*        U  17  -0.771  -1.517 -10.798
  182   2HO*    U  17          2HO*        U  17  -2.405   0.041 -12.348
  183    H1*    U  17           H1*        U  17  -2.436   0.608 -10.397
  184    H3     U  17           H3         U  17   1.064  -0.324  -7.380
  185    H5     U  17           H5         U  17  -2.634  -1.048  -5.511
  186    H6     U  17           H6         U  17  -3.700  -0.865  -7.694
  187   1H5*    A  18          1H5*        A  18  -0.291  -2.270 -12.823
  188   2H5*    A  18          2H5*        A  18   0.208  -3.397 -14.099
  189    H4*    A  18           H4*        A  18   2.261  -2.524 -13.413
  190    H3*    A  18           H3*        A  18   1.634  -5.073 -11.901
  191    H2*    A  18           H2*        A  18   3.564  -4.827 -10.583
  192   2HO*    A  18          2HO*        A  18   5.358  -3.751 -11.274
  193    H1*    A  18           H1*        A  18   3.620  -2.050 -10.417
  194    H8     A  18           H8         A  18   0.169  -3.110  -9.556
  195   1H6     A  18          1H6         A  18   0.795  -4.384  -4.936
  196   2H6     A  18          2H6         A  18   2.218  -4.629  -3.947
  197    H2     A  18           H2         A  18   5.780  -3.926  -6.593
  198   1H5*    G  19          1H5*        G  19   5.150  -4.927 -12.798
  199   2H5*    G  19          2H5*        G  19   6.248  -6.202 -13.363
  200    H4*    G  19           H4*        G  19   7.023  -5.562 -11.184
  201    H3*    G  19           H3*        G  19   5.466  -8.167 -11.271
  202    H2*    G  19           H2*        G  19   5.774  -8.428  -8.939
  203   2HO*    G  19          2HO*        G  19   7.880  -6.592  -9.364
  204    H1*    G  19           H1*        G  19   5.421  -5.804  -8.209
  205    H8     G  19           H8         G  19   2.948  -6.941 -10.869
  206    H1     G  19           H1         G  19   1.086  -8.194  -4.904
  207   1H2     G  19          1H2         G  19   4.330  -7.279  -4.024
  208   2H2     G  19          2H2         G  19   2.751  -7.811  -3.491
  209   1H5*    G  20          1H5*        G  20   8.349  -8.326  -8.392
  210   2H5*    G  20          2H5*        G  20   9.289  -9.830  -8.488
  211    H4*    G  20           H4*        G  20   8.277  -9.578  -6.254
  212    H3*    G  20           H3*        G  20   7.449 -11.806  -8.097
  213    H2*    G  20           H2*        G  20   5.528 -12.234  -6.947
  214   2HO*    G  20          2HO*        G  20   6.354 -11.677  -4.382
  215    H1*    G  20           H1*        G  20   5.767  -9.982  -5.045
  216    H8     G  20           H8         G  20   4.076  -9.619  -8.415
  217    H1     G  20           H1         G  20   0.138 -11.682  -3.846
  218   1H2     G  20          1H2         G  20   3.015 -11.899  -1.898
  219   2H2     G  20          2H2         G  20   1.282 -12.117  -2.001
  220   1H5*    C  21          1H5*        C  21   8.481 -14.197  -3.616
  221   2H5*    C  21          2H5*        C  21   8.322 -15.765  -4.433
  222    H4*    C  21           H4*        C  21   6.673 -14.853  -2.418
  223    H3*    C  21           H3*        C  21   6.482 -16.981  -4.529
  224    H2*    C  21           H2*        C  21   4.185 -16.852  -4.633
  225   2HO*    C  21          2HO*        C  21   3.891 -16.540  -1.849
  226    H1*    C  21           H1*        C  21   3.969 -14.676  -2.604
  227   1H4     C  21          1H4         C  21   0.244 -12.948  -7.677
  228   2H4     C  21          2H4         C  21  -0.880 -13.689  -6.560
  229    H5     C  21           H5         C  21   2.633 -12.926  -7.307
  230    H6     C  21           H6         C  21   4.441 -13.670  -5.886
  231   1H5*    C  22          1H5*        C  22   3.417 -16.552   0.054
  232   2H5*    C  22          2H5*        C  22   3.915 -17.833   1.176
  233    H4*    C  22           H4*        C  22   1.775 -18.552   0.640
  234    H3*    C  22           H3*        C  22   3.717 -19.707  -1.366
  235    H2*    C  22           H2*        C  22   2.016 -20.481  -2.691
  236   2HO*    C  22          2HO*        C  22  -0.105 -20.660  -1.034
  237    H1*    C  22           H1*        C  22  -0.091 -18.827  -1.523
  238   1H4     C  22          1H4         C  22   1.167 -17.290  -7.849
  239   2H4     C  22          2H4         C  22  -0.570 -17.401  -7.676
  240    H5     C  22           H5         C  22   2.705 -17.741  -6.052
  241    H6     C  22           H6         C  22   2.908 -18.344  -3.684
  242    H3T    C  22           H3T        C  22   3.234 -21.568  -0.160
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1 -12.813 -14.156 -10.023
    2   2H5*    G   1          2H5*        G   1 -12.564 -12.462  -9.548
    3    H4*    G   1           H4*        G   1 -11.774 -14.486  -7.987
    4    H3*    G   1           H3*        G   1 -10.580 -11.768  -8.491
    5    H2*    G   1           H2*        G   1  -8.533 -12.349  -7.713
    6   2HO*    G   1          2HO*        G   1  -8.739 -14.104  -5.829
    7    H1*    G   1           H1*        G   1  -9.004 -15.230  -7.452
    8    H8     G   1           H8         G   1  -8.088 -13.259 -10.603
    9    H1     G   1           H1         G   1  -3.058 -15.525  -7.413
   10   1H2     G   1          1H2         G   1  -5.429 -16.543  -5.065
   11   2H2     G   1          2H2         G   1  -3.741 -16.448  -5.510
   12    H5T    G   1           H5T        G   1 -10.373 -13.398 -10.783
   13   1H5*    G   2          1H5*        G   2 -11.535 -14.061  -2.959
   14   2H5*    G   2          2H5*        G   2 -10.938 -12.495  -2.376
   15    H4*    G   2           H4*        G   2  -9.614 -14.919  -2.120
   16    H3*    G   2           H3*        G   2  -8.741 -12.015  -1.992
   17    H2*    G   2           H2*        G   2  -6.519 -12.627  -2.098
   18   2HO*    G   2          2HO*        G   2  -6.238 -15.107  -1.390
   19    H1*    G   2           H1*        G   2  -6.891 -15.265  -3.207
   20    H8     G   2           H8         G   2  -7.725 -12.581  -5.656
   21    H1     G   2           H1         G   2  -1.436 -13.512  -5.135
   22   1H2     G   2          1H2         G   2  -2.245 -15.300  -2.259
   23   2H2     G   2          2H2         G   2  -0.992 -14.726  -3.335
   24   1H5*    C   3          1H5*        C   3  -5.909 -12.026   2.316
   25   2H5*    C   3          2H5*        C   3  -5.727 -10.925   0.935
   26    H4*    C   3           H4*        C   3  -4.099 -13.374   1.641
   27    H3*    C   3           H3*        C   3  -3.602 -10.436   1.134
   28    H2*    C   3           H2*        C   3  -1.689 -10.867  -0.103
   29   2HO*    C   3          2HO*        C   3  -1.195 -12.431   1.955
   30    H1*    C   3           H1*        C   3  -2.212 -13.585  -0.822
   31   1H4     C   3          1H4         C   3  -3.161  -9.656  -6.022
   32   2H4     C   3          2H4         C   3  -1.439  -9.966  -6.034
   33    H5     C   3           H5         C   3  -4.607 -10.333  -4.214
   34    H6     C   3           H6         C   3  -4.736 -11.476  -2.069
   35   1H5*    C   4          1H5*        C   4   0.927 -11.942   1.397
   36   2H5*    C   4          2H5*        C   4   0.891 -11.606   3.141
   37    H4*    C   4           H4*        C   4   2.668 -10.266   2.659
   38    H3*    C   4           H3*        C   4   0.183  -8.690   2.066
   39    H2*    C   4           H2*        C   4   1.327  -7.039   0.883
   40   2HO*    C   4          2HO*        C   4   3.501  -7.907   2.454
   41    H1*    C   4           H1*        C   4   3.335  -8.468  -0.270
   42   1H4     C   4          1H4         C   4  -1.948  -8.653  -4.257
   43   2H4     C   4          2H4         C   4  -0.541  -8.244  -5.221
   44    H5     C   4           H5         C   4  -1.837  -9.046  -1.865
   45    H6     C   4           H6         C   4  -0.349  -9.154   0.077
   46   1H5*    G   5          1H5*        G   5   3.512  -5.273   3.389
   47   2H5*    G   5          2H5*        G   5   2.340  -3.981   3.070
   48    H4*    G   5           H4*        G   5   4.432  -4.770   1.390
   49    H3*    G   5           H3*        G   5   1.949  -3.069   1.078
   50    H2*    G   5           H2*        G   5   2.299  -2.967  -1.263
   51   2HO*    G   5          2HO*        G   5   4.374  -2.637  -1.696
   52    H1*    G   5           H1*        G   5   2.933  -5.528  -1.723
   53    H8     G   5           H8         G   5   0.310  -5.212   1.036
   54    H1     G   5           H1         G   5  -2.206  -4.702  -4.792
   55   1H2     G   5          1H2         G   5   1.094  -4.480  -5.880
   56   2H2     G   5          2H2         G   5  -0.604  -4.485  -6.302
   57   1H5*    A   6          1H5*        A   6   3.169   1.264  -0.825
   58   2H5*    A   6          2H5*        A   6   2.568   0.073  -1.994
   59    H4*    A   6           H4*        A   6   5.180  -0.413  -0.552
   60    H3*    A   6           H3*        A   6   4.627   1.585  -2.736
   61    H2*    A   6           H2*        A   6   6.471   0.835  -4.011
   62   2HO*    A   6          2HO*        A   6   8.245   0.329  -2.988
   63    H1*    A   6           H1*        A   6   6.268  -1.848  -3.544
   64    H8     A   6           H8         A   6   2.780  -1.293  -4.158
   65   1H6     A   6          1H6         A   6   2.706  -0.502  -8.926
   66   2H6     A   6          2H6         A   6   3.952  -0.104 -10.089
   67    H2     A   6           H2         A   6   7.827   0.113  -7.819
   68   1H5*    A   7          1H5*        A   7   8.410   2.738  -1.873
   69   2H5*    A   7          2H5*        A   7   8.659   4.495  -1.920
   70    H4*    A   7           H4*        A   7   9.728   3.305  -3.844
   71    H3*    A   7           H3*        A   7   7.521   5.339  -4.293
   72    H2*    A   7           H2*        A   7   7.666   4.997  -6.619
   73   2HO*    A   7          2HO*        A   7  10.292   4.164  -5.980
   74    H1*    A   7           H1*        A   7   8.355   2.281  -6.580
   75    H8     A   7           H8         A   7   5.354   2.630  -4.481
   76   1H6     A   7          1H6         A   7   1.941   2.359  -7.869
   77   2H6     A   7          2H6         A   7   1.962   2.565  -9.606
   78    H2     A   7           H2         A   7   6.213   3.431 -10.760
   79   1H5*    A   8          1H5*        A   8   9.625   5.933  -7.636
   80   2H5*    A   8          2H5*        A   8  10.085   7.648  -7.654
   81    H4*    A   8           H4*        A   8   8.762   7.215  -9.628
   82    H3*    A   8           H3*        A   8   7.802   8.984  -7.490
   83    H2*    A   8           H2*        A   8   5.560   8.548  -7.651
   84   2HO*    A   8          2HO*        A   8   5.146   8.326 -10.294
   85    H1*    A   8           H1*        A   8   5.540   6.607  -9.776
   86    H8     A   8           H8         A   8   6.050   6.340  -5.938
   87   1H6     A   8          1H6         A   8   1.781   4.315  -4.911
   88   2H6     A   8          2H6         A   8   0.419   3.838  -5.898
   89    H2     A   8           H2         A   8   1.449   4.917 -10.143
   90   1H5*    U   9          1H5*        U   9   5.271  12.492  -9.747
   91   2H5*    U   9          2H5*        U   9   4.958  12.449  -8.003
   92    H4*    U   9           H4*        U   9   3.391  11.336 -10.248
   93    H3*    U   9           H3*        U   9   2.898  12.589  -7.623
   94    H2*    U   9           H2*        U   9   1.598  10.976  -6.661
   95   2HO*    U   9          2HO*        U   9  -0.216  10.640  -7.670
   96    H1*    U   9           H1*        U   9   2.010   8.715  -8.239
   97    H3     U   9           H3         U   9   2.846   7.151  -4.090
   98    H5     U   9           H5         U   9   5.670  10.242  -4.611
   99    H6     U   9           H6         U   9   4.648  10.678  -6.785
  100   1H5*    C  10          1H5*        C  10  -0.107  15.217 -10.667
  101   2H5*    C  10          2H5*        C  10  -1.756  14.690 -11.058
  102    H4*    C  10           H4*        C  10  -1.068  13.678 -12.943
  103    H3*    C  10           H3*        C  10   0.559  12.195 -10.991
  104    H2*    C  10           H2*        C  10   2.554  12.049 -12.178
  105   2HO*    C  10          2HO*        C  10   1.399  12.489 -14.700
  106    H1*    C  10           H1*        C  10   2.412  14.155 -13.950
  107   1H4     C  10          1H4         C  10   5.683  15.744  -8.429
  108   2H4     C  10          2H4         C  10   6.287  16.802  -9.687
  109    H5     C  10           H5         C  10   3.912  14.145  -8.785
  110    H6     C  10           H6         C  10   2.329  13.248 -10.424
  111   1H5*    C  11          1H5*        C  11  -4.259  10.845 -11.649
  112   2H5*    C  11          2H5*        C  11  -3.303  11.711 -12.867
  113    H4*    C  11           H4*        C  11  -3.497  13.294 -10.439
  114    H3*    C  11           H3*        C  11  -5.865  11.855 -10.713
  115    H2*    C  11           H2*        C  11  -6.913  12.720 -12.596
  116   2HO*    C  11          2HO*        C  11  -7.054  14.636 -10.712
  117    H1*    C  11           H1*        C  11  -5.458  15.004 -13.306
  118   1H4     C  11          1H4         C  11  -5.048  10.259 -17.803
  119   2H4     C  11          2H4         C  11  -4.681  11.756 -18.630
  120    H5     C  11           H5         C  11  -5.436  10.156 -15.416
  121    H6     C  11           H6         C  11  -5.511  11.357 -13.348
  122   1H5*    C  12          1H5*        C  12  -7.856  10.843 -10.686
  123   2H5*    C  12          2H5*        C  12  -8.241  12.565 -10.890
  124    H4*    C  12           H4*        C  12  -9.880  11.616  -8.755
  125    H3*    C  12           H3*        C  12  -9.346   9.484 -10.519
  126    H2*    C  12           H2*        C  12 -10.815   9.730 -12.238
  127   2HO*    C  12          2HO*        C  12 -13.114  10.380 -11.097
  128    H1*    C  12           H1*        C  12 -12.330  11.987 -11.574
  129   1H4     C  12          1H4         C  12  -8.394  13.043 -16.795
  130   2H4     C  12          2H4         C  12  -9.960  13.722 -17.179
  131    H5     C  12           H5         C  12  -7.910  11.944 -14.700
  132    H6     C  12           H6         C  12  -8.803  11.294 -12.542
  133   1H5*    G  13          1H5*        G  13 -10.292   7.801 -11.117
  134   2H5*    G  13          2H5*        G  13 -10.889   6.142 -11.122
  135    H4*    G  13           H4*        G  13  -8.666   5.395 -10.194
  136    H3*    G  13           H3*        G  13  -8.069   8.015  -9.637
  137    H2*    G  13           H2*        G  13  -7.850   9.048 -11.731
  138   2HO*    G  13          2HO*        G  13  -5.869   8.629 -12.766
  139    H1*    G  13           H1*        G  13  -7.345   7.001 -13.545
  140    H8     G  13           H8         G  13  -8.439   9.746 -14.023
  141    H1     G  13           H1         G  13 -13.975   6.593 -14.233
  142   1H2     G  13          1H2         G  13 -12.262   4.106 -12.492
  143   2H2     G  13          2H2         G  13 -13.762   4.630 -13.221
  144   1H5*    A  14          1H5*        A  14  -6.196   5.904 -11.941
  145   2H5*    A  14          2H5*        A  14  -6.824   4.450 -12.733
  146    H4*    A  14           H4*        A  14  -4.749   3.885 -13.349
  147    H3*    A  14           H3*        A  14  -4.693   3.467 -10.483
  148    H2*    A  14           H2*        A  14  -2.685   4.413  -9.901
  149   2HO*    A  14          2HO*        A  14  -1.580   2.717 -10.943
  150    H1*    A  14           H1*        A  14  -1.878   5.810 -12.190
  151    H8     A  14           H8         A  14  -4.979   7.455 -11.120
  152   1H6     A  14          1H6         A  14  -3.336  10.202  -7.505
  153   2H6     A  14          2H6         A  14  -1.834  10.227  -6.608
  154    H2     A  14           H2         A  14   0.744   6.951  -8.291
  155   1H5*    A  15          1H5*        A  15  -3.572   0.776 -10.305
  156   2H5*    A  15          2H5*        A  15  -4.188  -0.858 -10.635
  157    H4*    A  15           H4*        A  15  -5.711  -0.757  -8.827
  158    H3*    A  15           H3*        A  15  -6.049   1.921  -9.341
  159    H2*    A  15           H2*        A  15  -3.931   2.648  -8.506
  160   2HO*    A  15          2HO*        A  15  -5.070   3.892  -7.174
  161    H1*    A  15           H1*        A  15  -4.150   0.765  -6.159
  162    H8     A  15           H8         A  15  -1.728   1.851  -9.021
  163   1H6     A  15          1H6         A  15   2.274   2.196  -6.310
  164   2H6     A  15          2H6         A  15   2.582   1.960  -4.604
  165    H2     A  15           H2         A  15  -1.314   0.769  -2.718
  166   1H5*    G  16          1H5*        G  16  -8.748  -2.308  -6.746
  167   2H5*    G  16          2H5*        G  16  -8.800  -1.730  -5.068
  168    H4*    G  16           H4*        G  16  -6.262  -1.276  -6.585
  169    H3*    G  16           H3*        G  16  -7.406  -3.957  -6.339
  170    H2*    G  16           H2*        G  16  -6.473  -4.390  -4.238
  171   2HO*    G  16          2HO*        G  16  -4.943  -5.318  -5.861
  172    H1*    G  16           H1*        G  16  -4.407  -2.221  -4.660
  173    H8     G  16           H8         G  16  -7.184  -3.139  -2.099
  174    H1     G  16           H1         G  16  -1.337  -2.483   0.367
  175   1H2     G  16          1H2         G  16  -0.354  -1.895  -2.923
  176   2H2     G  16          2H2         G  16   0.113  -2.017  -1.242
  177   1H5*    U  17          1H5*        U  17  -5.317  -4.109 -10.599
  178   2H5*    U  17          2H5*        U  17  -4.060  -5.333 -10.855
  179    H4*    U  17           H4*        U  17  -3.735  -3.043 -11.996
  180    H3*    U  17           H3*        U  17  -1.672  -4.449 -10.268
  181    H2*    U  17           H2*        U  17  -0.169  -2.656 -10.609
  182   2HO*    U  17          2HO*        U  17  -1.890  -1.571 -12.606
  183    H1*    U  17           H1*        U  17  -2.011  -0.597 -10.516
  184    H3     U  17           H3         U  17   1.226  -0.942  -7.183
  185    H5     U  17           H5         U  17  -2.452  -2.238  -5.620
  186    H6     U  17           H6         U  17  -3.327  -2.227  -7.888
  187   1H5*    A  18          1H5*        A  18   0.917  -2.476 -12.702
  188   2H5*    A  18          2H5*        A  18   1.514  -3.751 -13.781
  189    H4*    A  18           H4*        A  18   3.452  -2.625 -12.943
  190    H3*    A  18           H3*        A  18   2.899  -5.277 -11.561
  191    H2*    A  18           H2*        A  18   4.845  -4.957 -10.247
  192   2HO*    A  18          2HO*        A  18   5.980  -2.750 -11.201
  193    H1*    A  18           H1*        A  18   4.644  -2.208  -9.945
  194    H8     A  18           H8         A  18   1.292  -3.583  -9.169
  195   1H6     A  18          1H6         A  18   1.938  -4.662  -4.507
  196   2H6     A  18          2H6         A  18   3.365  -4.831  -3.506
  197    H2     A  18           H2         A  18   6.904  -4.013  -6.140
  198   1H5*    G  19          1H5*        G  19   8.572  -5.811 -12.524
  199   2H5*    G  19          2H5*        G  19   7.604  -7.298 -12.551
  200    H4*    G  19           H4*        G  19   8.965  -6.097 -10.317
  201    H3*    G  19           H3*        G  19   7.196  -8.554 -10.733
  202    H2*    G  19           H2*        G  19   7.211  -8.850  -8.402
  203   2HO*    G  19          2HO*        G  19   9.318  -6.926  -8.271
  204    H1*    G  19           H1*        G  19   7.094  -6.168  -7.720
  205    H8     G  19           H8         G  19   4.634  -7.105 -10.464
  206    H1     G  19           H1         G  19   2.487  -8.011  -4.555
  207   1H2     G  19          1H2         G  19   5.803  -7.481  -3.612
  208   2H2     G  19          2H2         G  19   4.161  -7.806  -3.098
  209   1H5*    G  20          1H5*        G  20   8.971 -12.439  -9.055
  210   2H5*    G  20          2H5*        G  20   7.212 -12.237  -8.923
  211    H4*    G  20           H4*        G  20   9.354 -11.738  -6.856
  212    H3*    G  20           H3*        G  20   6.848 -13.397  -7.117
  213    H2*    G  20           H2*        G  20   6.230 -12.983  -4.875
  214   2HO*    G  20          2HO*        G  20   8.872 -12.933  -4.527
  215    H1*    G  20           H1*        G  20   6.906 -10.397  -4.668
  216    H8     G  20           H8         G  20   5.496  -9.930  -7.903
  217    H1     G  20           H1         G  20   0.948 -11.339  -3.650
  218   1H2     G  20          1H2         G  20   3.565 -12.586  -1.716
  219   2H2     G  20          2H2         G  20   1.844 -12.311  -1.871
  220   1H5*    C  21          1H5*        C  21   6.535 -17.413  -5.414
  221   2H5*    C  21          2H5*        C  21   5.040 -16.611  -5.932
  222    H4*    C  21           H4*        C  21   6.256 -16.809  -3.186
  223    H3*    C  21           H3*        C  21   3.598 -17.337  -4.501
  224    H2*    C  21           H2*        C  21   2.387 -16.531  -2.600
  225   2HO*    C  21          2HO*        C  21   3.442 -16.132  -0.617
  226    H1*    C  21           H1*        C  21   3.801 -14.333  -2.127
  227   1H4     C  21          1H4         C  21   0.753 -12.347  -7.506
  228   2H4     C  21          2H4         C  21  -0.607 -12.836  -6.522
  229    H5     C  21           H5         C  21   3.047 -12.812  -6.912
  230    H6     C  21           H6         C  21   4.516 -13.775  -5.256
  231   1H5*    C  22          1H5*        C  22   2.774 -18.751  -1.746
  232   2H5*    C  22          2H5*        C  22   2.350 -20.403  -1.254
  233    H4*    C  22           H4*        C  22   0.278 -19.392  -1.065
  234    H3*    C  22           H3*        C  22   0.571 -20.266  -3.957
  235    H2*    C  22           H2*        C  22  -1.541 -19.403  -4.418
  236   2HO*    C  22          2HO*        C  22  -2.493 -18.782  -1.957
  237    H1*    C  22           H1*        C  22  -1.443 -17.290  -2.532
  238   1H4     C  22          1H4         C  22   0.483 -14.916  -8.372
  239   2H4     C  22          2H4         C  22  -1.261 -14.966  -8.494
  240    H5     C  22           H5         C  22   1.703 -15.807  -6.485
  241    H6     C  22           H6         C  22   1.506 -16.970  -4.356
  242    H3T    C  22           H3T        C  22   0.284 -21.651  -1.892
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1 -10.331 -18.505 -10.014
    2   2H5*    G   1          2H5*        G   1 -11.709 -18.684  -8.908
    3    H4*    G   1           H4*        G   1 -10.135 -19.199  -7.364
    4    H3*    G   1           H3*        G   1 -10.108 -16.198  -7.559
    5    H2*    G   1           H2*        G   1  -7.933 -16.022  -6.895
    6   2HO*    G   1          2HO*        G   1  -8.317 -18.074  -4.962
    7    H1*    G   1           H1*        G   1  -7.449 -18.944  -6.653
    8    H8     G   1           H8         G   1  -6.875 -16.684  -9.682
    9    H1     G   1           H1         G   1  -1.650 -17.623  -6.155
   10   1H2     G   1          1H2         G   1  -3.813 -19.234  -3.945
   11   2H2     G   1          2H2         G   1  -2.180 -18.714  -4.296
   12    H5T    G   1           H5T        G   1 -10.448 -16.367  -9.859
   13   1H5*    G   2          1H5*        G   2 -10.408 -16.046  -2.843
   14   2H5*    G   2          2H5*        G   2  -9.279 -16.385  -4.169
   15    H4*    G   2           H4*        G   2  -8.865 -17.571  -1.413
   16    H3*    G   2           H3*        G   2  -8.307 -14.756  -2.368
   17    H2*    G   2           H2*        G   2  -6.137 -14.807  -1.475
   18   2HO*    G   2          2HO*        G   2  -7.132 -15.825   0.548
   19    H1*    G   2           H1*        G   2  -5.524 -17.464  -1.916
   20    H8     G   2           H8         G   2  -7.074 -15.679  -4.912
   21    H1     G   2           H1         G   2  -0.751 -14.958  -4.416
   22   1H2     G   2          1H2         G   2  -1.136 -16.464  -1.299
   23   2H2     G   2          2H2         G   2  -0.051 -15.738  -2.463
   24   1H5*    C   3          1H5*        C   3  -6.134 -14.919   2.015
   25   2H5*    C   3          2H5*        C   3  -6.571 -13.221   2.294
   26    H4*    C   3           H4*        C   3  -4.021 -14.035   1.944
   27    H3*    C   3           H3*        C   3  -5.454 -11.461   1.359
   28    H2*    C   3           H2*        C   3  -3.986 -10.878  -0.313
   29   2HO*    C   3          2HO*        C   3  -1.723 -11.794   1.095
   30    H1*    C   3           H1*        C   3  -2.326 -13.353  -0.026
   31   1H4     C   3          1H4         C   3  -3.512 -12.061  -6.412
   32   2H4     C   3          2H4         C   3  -1.817 -11.710  -6.165
   33    H5     C   3           H5         C   3  -5.008 -12.668  -4.622
   34    H6     C   3           H6         C   3  -5.208 -13.029  -2.214
   35   1H5*    C   4          1H5*        C   4   0.033 -11.821   1.984
   36   2H5*    C   4          2H5*        C   4   0.423 -11.189   3.596
   37    H4*    C   4           H4*        C   4   1.302  -9.429   2.476
   38    H3*    C   4           H3*        C   4  -1.681  -8.980   2.437
   39    H2*    C   4           H2*        C   4  -1.662  -7.617   0.637
   40   2HO*    C   4          2HO*        C   4   0.560  -6.302   0.523
   41    H1*    C   4           H1*        C   4   1.104  -8.059  -0.216
   42   1H4     C   4          1H4         C   4  -3.602  -9.552  -4.639
   43   2H4     C   4          2H4         C   4  -2.200  -9.020  -5.544
   44    H5     C   4           H5         C   4  -3.627  -9.703  -2.214
   45    H6     C   4           H6         C   4  -2.316  -9.478  -0.195
   46   1H5*    G   5          1H5*        G   5   2.751  -4.937   2.637
   47   2H5*    G   5          2H5*        G   5   0.991  -4.812   2.450
   48    H4*    G   5           H4*        G   5   3.130  -4.973   0.328
   49    H3*    G   5           H3*        G   5   0.714  -3.236   0.951
   50    H2*    G   5           H2*        G   5   0.442  -2.800  -1.347
   51   2HO*    G   5          2HO*        G   5   3.067  -3.856  -1.770
   52    H1*    G   5           H1*        G   5   1.238  -5.298  -2.309
   53    H8     G   5           H8         G   5  -1.286  -5.462   0.522
   54    H1     G   5           H1         G   5  -3.975  -4.346  -5.143
   55   1H2     G   5          1H2         G   5  -0.706  -3.959  -6.281
   56   2H2     G   5          2H2         G   5  -2.414  -3.928  -6.657
   57   1H5*    A   6          1H5*        A   6   3.285   0.975  -1.193
   58   2H5*    A   6          2H5*        A   6   2.418  -0.573  -1.251
   59    H4*    A   6           H4*        A   6   5.192  -1.146  -0.806
   60    H3*    A   6           H3*        A   6   4.640   0.958  -2.924
   61    H2*    A   6           H2*        A   6   6.225  -0.117  -4.339
   62   2HO*    A   6          2HO*        A   6   7.007  -2.133  -2.627
   63    H1*    A   6           H1*        A   6   5.440  -2.684  -3.809
   64    H8     A   6           H8         A   6   2.141  -1.345  -4.117
   65   1H6     A   6          1H6         A   6   1.839  -0.356  -8.838
   66   2H6     A   6          2H6         A   6   3.035  -0.208 -10.105
   67    H2     A   6           H2         A   6   7.043  -0.947  -8.212
   68   1H5*    A   7          1H5*        A   7   9.863   1.854  -2.103
   69   2H5*    A   7          2H5*        A   7   8.135   2.161  -2.362
   70    H4*    A   7           H4*        A   7   9.937   0.606  -4.266
   71    H3*    A   7           H3*        A   7   9.043   3.500  -4.148
   72    H2*    A   7           H2*        A   7   8.484   3.474  -6.397
   73   2HO*    A   7          2HO*        A   7  10.797   1.883  -6.521
   74    H1*    A   7           H1*        A   7   8.435   0.571  -6.699
   75    H8     A   7           H8         A   7   5.470   1.804  -4.861
   76   1H6     A   7          1H6         A   7   2.521   2.716  -8.574
   77   2H6     A   7          2H6         A   7   2.788   2.917 -10.291
   78    H2     A   7           H2         A   7   7.175   2.303 -11.011
   79   1H5*    A   8          1H5*        A   8  10.440   6.717  -5.827
   80   2H5*    A   8          2H5*        A   8   9.379   5.310  -5.612
   81    H4*    A   8           H4*        A   8  10.691   5.601  -8.286
   82    H3*    A   8           H3*        A   8   9.021   7.737  -7.101
   83    H2*    A   8           H2*        A   8   7.106   7.334  -8.261
   84   2HO*    A   8          2HO*        A   8   8.732   6.755 -10.535
   85    H1*    A   8           H1*        A   8   7.741   4.940  -9.693
   86    H8     A   8           H8         A   8   6.976   5.048  -6.093
   87   1H6     A   8          1H6         A   8   2.160   4.618  -6.186
   88   2H6     A   8          2H6         A   8   0.996   4.745  -7.487
   89    H2     A   8           H2         A   8   3.348   5.539 -11.249
   90   1H5*    U   9          1H5*        U   9   8.026  10.835  -8.094
   91   2H5*    U   9          2H5*        U   9   7.110   9.414  -7.608
   92    H4*    U   9           H4*        U   9   6.048  11.764  -8.771
   93    H3*    U   9           H3*        U   9   5.063   9.257  -7.757
   94    H2*    U   9           H2*        U   9   3.634   8.671  -9.470
   95   2HO*    U   9          2HO*        U   9   2.119  10.168  -8.863
   96    H1*    U   9           H1*        U   9   4.185  10.626 -11.443
   97    H3     U   9           H3         U   9   4.064   7.005 -14.092
   98    H5     U   9           H5         U   9   6.944   6.074 -11.151
   99    H6     U   9           H6         U   9   6.433   8.188 -10.093
  100   1H5*    C  10          1H5*        C  10   7.222  11.457  -5.966
  101   2H5*    C  10          2H5*        C  10   6.638  11.826  -4.331
  102    H4*    C  10           H4*        C  10   7.852  13.716  -4.311
  103    H3*    C  10           H3*        C  10   6.094  14.329  -6.694
  104    H2*    C  10           H2*        C  10   7.559  16.012  -7.444
  105   2HO*    C  10          2HO*        C  10   8.620  17.261  -6.075
  106    H1*    C  10           H1*        C  10   9.964  14.870  -6.689
  107   1H4     C  10          1H4         C  10   8.334  12.548 -12.649
  108   2H4     C  10          2H4         C  10   9.606  13.720 -12.909
  109    H5     C  10           H5         C  10   7.369  12.105 -10.490
  110    H6     C  10           H6         C  10   7.396  12.731  -8.101
  111   1H5*    C  11          1H5*        C  11   3.747  17.181  -2.376
  112   2H5*    C  11          2H5*        C  11   5.284  16.519  -1.780
  113    H4*    C  11           H4*        C  11   5.067  14.831  -3.757
  114    H3*    C  11           H3*        C  11   2.752  16.425  -4.257
  115    H2*    C  11           H2*        C  11   1.032  15.375  -3.191
  116   2HO*    C  11          2HO*        C  11   1.342  12.886  -2.951
  117    H1*    C  11           H1*        C  11   2.136  13.757  -1.292
  118   1H4     C  11          1H4         C  11   1.358  19.738   1.304
  119   2H4     C  11          2H4         C  11   2.961  19.401   1.919
  120    H5     C  11           H5         C  11   0.247  18.328  -0.307
  121    H6     C  11           H6         C  11   0.379  16.291  -1.601
  122   1H5*    C  12          1H5*        C  12   0.913  12.195  -4.910
  123   2H5*    C  12          2H5*        C  12   0.626  12.336  -6.656
  124    H4*    C  12           H4*        C  12  -1.553  11.975  -6.287
  125    H3*    C  12           H3*        C  12  -1.176  14.706  -5.193
  126    H2*    C  12           H2*        C  12  -2.524  14.524  -3.351
  127   2HO*    C  12          2HO*        C  12  -4.581  14.285  -3.756
  128    H1*    C  12           H1*        C  12  -3.231  11.738  -3.462
  129   1H4     C  12          1H4         C  12   0.056  13.777   1.946
  130   2H4     C  12          2H4         C  12  -1.110  12.592   2.487
  131    H5     C  12           H5         C  12   0.315  14.425  -0.375
  132    H6     C  12           H6         C  12  -0.481  14.034  -2.644
  133   1H5*    G  13          1H5*        G  13  -6.400  14.630  -8.163
  134   2H5*    G  13          2H5*        G  13  -5.469  13.654  -7.001
  135    H4*    G  13           H4*        G  13  -6.055  12.888  -9.609
  136    H3*    G  13           H3*        G  13  -5.020  11.582  -7.550
  137    H2*    G  13           H2*        G  13  -3.079  12.976  -7.318
  138   2HO*    G  13          2HO*        G  13  -2.382  10.695  -8.896
  139    H1*    G  13           H1*        G  13  -2.287  12.708 -10.176
  140    H8     G  13           H8         G  13  -0.839  13.722  -7.559
  141    H1     G  13           H1         G  13  -2.020  19.216 -10.564
  142   1H2     G  13          1H2         G  13  -4.442  17.379 -12.275
  143   2H2     G  13          2H2         G  13  -3.659  18.925 -12.034
  144   1H5*    A  14          1H5*        A  14  -4.872   7.802 -11.031
  145   2H5*    A  14          2H5*        A  14  -4.100   8.912  -9.881
  146    H4*    A  14           H4*        A  14  -2.702   8.270 -12.470
  147    H3*    A  14           H3*        A  14  -3.382   6.294 -10.405
  148    H2*    A  14           H2*        A  14  -1.357   6.113  -9.362
  149   2HO*    A  14          2HO*        A  14  -0.802   5.371 -11.802
  150    H1*    A  14           H1*        A  14   0.175   8.152 -10.675
  151    H8     A  14           H8         A  14  -2.488   9.092  -8.113
  152   1H6     A  14          1H6         A  14   0.310   9.178  -4.174
  153   2H6     A  14          2H6         A  14   1.969   8.710  -3.878
  154    H2     A  14           H2         A  14   3.628   7.256  -7.799
  155   1H5*    A  15          1H5*        A  15  -2.509   4.309 -10.533
  156   2H5*    A  15          2H5*        A  15  -2.005   2.692 -11.001
  157    H4*    A  15           H4*        A  15  -4.619   2.181 -10.589
  158    H3*    A  15           H3*        A  15  -4.840   4.753  -9.898
  159    H2*    A  15           H2*        A  15  -2.920   4.865  -8.449
  160   2HO*    A  15          2HO*        A  15  -4.155   4.181  -6.228
  161    H1*    A  15           H1*        A  15  -3.640   2.360  -6.976
  162    H8     A  15           H8         A  15  -0.762   3.354  -9.390
  163   1H6     A  15          1H6         A  15   2.885   2.513  -6.335
  164   2H6     A  15          2H6         A  15   2.954   2.143  -4.627
  165    H2     A  15           H2         A  15  -1.290   1.931  -3.170
  166   1H5*    G  16          1H5*        G  16  -8.613   2.075  -7.886
  167   2H5*    G  16          2H5*        G  16  -8.755   2.014  -6.118
  168    H4*    G  16           H4*        G  16  -6.208   1.337  -7.633
  169    H3*    G  16           H3*        G  16  -8.635  -0.270  -7.249
  170    H2*    G  16           H2*        G  16  -7.884  -1.357  -5.333
  171   2HO*    G  16          2HO*        G  16  -6.743  -3.081  -5.877
  172    H1*    G  16           H1*        G  16  -5.029  -0.507  -5.805
  173    H8     G  16           H8         G  16  -7.980  -0.503  -3.302
  174    H1     G  16           H1         G  16  -2.249  -1.456  -0.674
  175   1H2     G  16          1H2         G  16  -1.037  -1.009  -3.910
  176   2H2     G  16          2H2         G  16  -0.673  -1.316  -2.227
  177   1H5*    U  17          1H5*        U  17  -4.804  -3.465  -9.938
  178   2H5*    U  17          2H5*        U  17  -5.065  -2.097  -8.836
  179    H4*    U  17           H4*        U  17  -4.746  -1.327 -11.676
  180    H3*    U  17           H3*        U  17  -2.663  -2.989 -10.268
  181    H2*    U  17           H2*        U  17  -0.934  -1.470 -10.776
  182   2HO*    U  17          2HO*        U  17  -1.811   0.391 -12.322
  183    H1*    U  17           H1*        U  17  -2.280   0.882 -10.451
  184    H3     U  17           H3         U  17   0.987  -0.481  -7.313
  185    H5     U  17           H5         U  17  -2.842  -0.658  -5.568
  186    H6     U  17           H6         U  17  -3.779  -0.342  -7.789
  187   1H5*    A  18          1H5*        A  18  -0.469  -2.044 -12.971
  188   2H5*    A  18          2H5*        A  18  -0.076  -3.322 -14.140
  189    H4*    A  18           H4*        A  18   2.035  -2.523 -13.451
  190    H3*    A  18           H3*        A  18   1.196  -5.018 -11.946
  191    H2*    A  18           H2*        A  18   3.170  -4.938 -10.656
  192   2HO*    A  18          2HO*        A  18   4.754  -3.125 -11.487
  193    H1*    A  18           H1*        A  18   3.385  -2.187 -10.413
  194    H8     A  18           H8         A  18  -0.154  -3.224  -9.712
  195   1H6     A  18          1H6         A  18   0.267  -4.339  -5.034
  196   2H6     A  18          2H6         A  18   1.643  -4.553  -3.976
  197    H2     A  18           H2         A  18   5.321  -3.870  -6.470
  198   1H5*    G  19          1H5*        G  19   5.092  -5.018 -12.645
  199   2H5*    G  19          2H5*        G  19   5.847  -6.572 -13.058
  200    H4*    G  19           H4*        G  19   6.755  -5.578 -10.954
  201    H3*    G  19           H3*        G  19   5.375  -8.260 -11.031
  202    H2*    G  19           H2*        G  19   5.506  -8.505  -8.695
  203   2HO*    G  19          2HO*        G  19   7.825  -7.341  -9.011
  204    H1*    G  19           H1*        G  19   5.076  -5.905  -7.931
  205    H8     G  19           H8         G  19   2.807  -7.144 -10.747
  206    H1     G  19           H1         G  19   0.529  -8.239  -4.891
  207   1H2     G  19          1H2         G  19   3.669  -7.185  -3.808
  208   2H2     G  19          2H2         G  19   2.069  -7.745  -3.376
  209   1H5*    G  20          1H5*        G  20   7.559 -11.741  -8.904
  210   2H5*    G  20          2H5*        G  20   6.287 -10.564  -9.287
  211    H4*    G  20           H4*        G  20   8.143  -9.785  -7.095
  212    H3*    G  20           H3*        G  20   6.416 -12.262  -6.980
  213    H2*    G  20           H2*        G  20   5.579 -11.632  -4.839
  214   2HO*    G  20          2HO*        G  20   7.716  -9.741  -4.745
  215    H1*    G  20           H1*        G  20   5.447  -8.927  -5.237
  216    H8     G  20           H8         G  20   3.823  -9.736  -8.279
  217    H1     G  20           H1         G  20   0.144 -11.531  -3.411
  218   1H2     G  20          1H2         G  20   3.026 -11.290  -1.493
  219   2H2     G  20          2H2         G  20   1.316 -11.673  -1.559
  220   1H5*    C  21          1H5*        C  21   8.058 -12.647  -3.969
  221   2H5*    C  21          2H5*        C  21   8.717 -14.116  -3.220
  222    H4*    C  21           H4*        C  21   6.530 -13.715  -2.275
  223    H3*    C  21           H3*        C  21   6.855 -16.035  -4.160
  224    H2*    C  21           H2*        C  21   4.597 -16.122  -4.617
  225   2HO*    C  21          2HO*        C  21   3.274 -15.793  -2.425
  226    H1*    C  21           H1*        C  21   3.941 -13.828  -2.819
  227   1H4     C  21          1H4         C  21   0.544 -12.875  -8.307
  228   2H4     C  21          2H4         C  21  -0.570 -13.742  -7.272
  229    H5     C  21           H5         C  21   2.853 -12.485  -7.707
  230    H6     C  21           H6         C  21   4.584 -12.879  -6.090
  231   1H5*    C  22          1H5*        C  22   5.749 -18.769  -0.930
  232   2H5*    C  22          2H5*        C  22   5.063 -17.821  -2.264
  233    H4*    C  22           H4*        C  22   3.519 -19.352  -0.132
  234    H3*    C  22           H3*        C  22   4.058 -19.731  -3.090
  235    H2*    C  22           H2*        C  22   1.919 -20.658  -3.365
  236   2HO*    C  22          2HO*        C  22   1.437 -22.025  -1.804
  237    H1*    C  22           H1*        C  22   0.586 -18.931  -1.662
  238   1H4     C  22          1H4         C  22   1.276 -16.141  -7.633
  239   2H4     C  22          2H4         C  22  -0.405 -16.603  -7.483
  240    H5     C  22           H5         C  22   2.937 -16.650  -5.962
  241    H6     C  22           H6         C  22   3.337 -17.679  -3.772
  242    H3T    C  22           H3T        C  22   4.538 -21.047  -0.763
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1 -12.437 -16.877  -8.193
    2   2H5*    G   1          2H5*        G   1 -11.139 -17.032  -9.393
    3    H4*    G   1           H4*        G   1 -10.880 -18.350  -6.687
    4    H3*    G   1           H3*        G   1 -10.737 -15.416  -7.306
    5    H2*    G   1           H2*        G   1  -8.515 -15.270  -6.807
    6   2HO*    G   1          2HO*        G   1  -7.903 -16.531  -4.730
    7    H1*    G   1           H1*        G   1  -8.173 -18.157  -6.162
    8    H8     G   1           H8         G   1  -7.617 -16.366  -9.499
    9    H1     G   1           H1         G   1  -2.288 -17.158  -6.091
   10   1H2     G   1          1H2         G   1  -4.425 -18.346  -3.608
   11   2H2     G   1          2H2         G   1  -2.787 -17.963  -4.085
   12    H5T    G   1           H5T        G   1 -13.052 -18.726  -8.934
   13   1H5*    G   2          1H5*        G   2 -10.426 -13.366  -2.265
   14   2H5*    G   2          2H5*        G   2  -9.410 -13.633  -3.698
   15    H4*    G   2           H4*        G   2  -9.216 -15.125  -1.047
   16    H3*    G   2           H3*        G   2  -7.596 -12.923  -2.369
   17    H2*    G   2           H2*        G   2  -5.610 -13.881  -1.486
   18   2HO*    G   2          2HO*        G   2  -6.784 -15.977  -0.110
   19    H1*    G   2           H1*        G   2  -6.191 -16.463  -2.042
   20    H8     G   2           H8         G   2  -7.479 -14.705  -4.992
   21    H1     G   2           H1         G   2  -1.116 -14.403  -4.748
   22   1H2     G   2          1H2         G   2  -1.501 -15.480  -1.463
   23   2H2     G   2          2H2         G   2  -0.406 -15.016  -2.746
   24   1H5*    C   3          1H5*        C   3  -6.274 -12.172   2.927
   25   2H5*    C   3          2H5*        C   3  -6.803 -11.681   1.305
   26    H4*    C   3           H4*        C   3  -4.209 -13.130   1.974
   27    H3*    C   3           H3*        C   3  -4.938 -10.244   1.584
   28    H2*    C   3           H2*        C   3  -3.562 -10.004  -0.247
   29   2HO*    C   3          2HO*        C   3  -1.895 -10.349   1.667
   30    H1*    C   3           H1*        C   3  -2.613 -12.841  -0.203
   31   1H4     C   3          1H4         C   3  -4.175 -11.075  -6.377
   32   2H4     C   3          2H4         C   3  -2.427 -11.056  -6.318
   33    H5     C   3           H5         C   3  -5.557 -11.494  -4.444
   34    H6     C   3           H6         C   3  -5.565 -11.834  -2.027
   35   1H5*    C   4          1H5*        C   4  -0.216 -11.819   0.906
   36   2H5*    C   4          2H5*        C   4   0.824 -12.152   2.305
   37    H4*    C   4           H4*        C   4   1.972 -10.193   2.078
   38    H3*    C   4           H3*        C   4  -0.754  -9.014   1.505
   39    H2*    C   4           H2*        C   4   0.191  -7.278   0.243
   40   2HO*    C   4          2HO*        C   4   2.030  -7.418   2.128
   41    H1*    C   4           H1*        C   4   2.382  -8.585  -0.818
   42   1H4     C   4          1H4         C   4  -2.834  -8.932  -4.895
   43   2H4     C   4          2H4         C   4  -1.428  -8.541  -5.861
   44    H5     C   4           H5         C   4  -2.746  -9.255  -2.509
   45    H6     C   4           H6         C   4  -1.287  -9.322  -0.545
   46   1H5*    G   5          1H5*        G   5   2.229  -5.213   2.641
   47   2H5*    G   5          2H5*        G   5   1.018  -4.031   2.117
   48    H4*    G   5           H4*        G   5   3.210  -5.110   0.624
   49    H3*    G   5           H3*        G   5   0.979  -3.123   0.140
   50    H2*    G   5           H2*        G   5   1.396  -3.197  -2.190
   51   2HO*    G   5          2HO*        G   5   3.705  -3.097  -2.023
   52    H1*    G   5           H1*        G   5   1.728  -5.849  -2.488
   53    H8     G   5           H8         G   5  -0.941  -5.443   0.108
   54    H1     G   5           H1         G   5  -3.125  -4.136  -5.733
   55   1H2     G   5          1H2         G   5   0.232  -4.141  -6.658
   56   2H2     G   5          2H2         G   5  -1.435  -3.929  -7.148
   57   1H5*    A   6          1H5*        A   6   3.642   1.085  -0.821
   58   2H5*    A   6          2H5*        A   6   2.711   0.515  -2.220
   59    H4*    A   6           H4*        A   6   4.711  -1.280  -0.831
   60    H3*    A   6           H3*        A   6   5.232   1.045  -2.613
   61    H2*    A   6           H2*        A   6   6.449  -0.163  -4.191
   62   2HO*    A   6          2HO*        A   6   6.980  -2.489  -2.899
   63    H1*    A   6           H1*        A   6   5.358  -2.705  -3.866
   64    H8     A   6           H8         A   6   2.290  -1.385  -4.710
   65   1H6     A   6          1H6         A   6   2.813  -0.243  -9.390
   66   2H6     A   6          2H6         A   6   4.222   0.021 -10.395
   67    H2     A   6           H2         A   6   7.829  -0.604  -7.773
   68   1H5*    A   7          1H5*        A   7   9.656   3.142  -1.580
   69   2H5*    A   7          2H5*        A   7   8.398   4.195  -2.255
   70    H4*    A   7           H4*        A   7  10.030   2.076  -3.569
   71    H3*    A   7           H3*        A   7   8.819   4.750  -4.268
   72    H2*    A   7           H2*        A   7   8.393   4.124  -6.451
   73   2HO*    A   7          2HO*        A   7  10.359   2.084  -6.415
   74    H1*    A   7           H1*        A   7   8.464   1.271  -6.114
   75    H8     A   7           H8         A   7   5.576   2.297  -4.280
   76   1H6     A   7          1H6         A   7   2.310   2.649  -7.812
   77   2H6     A   7          2H6         A   7   2.444   2.831  -9.548
   78    H2     A   7           H2         A   7   6.832   2.882 -10.513
   79   1H5*    A   8          1H5*        A   8  10.105   8.074  -5.815
   80   2H5*    A   8          2H5*        A   8   9.081   6.707  -5.334
   81    H4*    A   8           H4*        A   8  10.071   6.877  -8.175
   82    H3*    A   8           H3*        A   8   8.339   8.846  -6.854
   83    H2*    A   8           H2*        A   8   6.330   8.143  -7.635
   84   2HO*    A   8          2HO*        A   8   7.796   8.334 -10.017
   85    H1*    A   8           H1*        A   8   7.061   5.810  -9.177
   86    H8     A   8           H8         A   8   6.806   5.961  -5.470
   87   1H6     A   8          1H6         A   8   2.206   4.611  -4.845
   88   2H6     A   8          2H6         A   8   0.881   4.381  -5.963
   89    H2     A   8           H2         A   8   2.476   5.312 -10.068
   90   1H5*    U   9          1H5*        U   9   5.801  10.437 -10.732
   91   2H5*    U   9          2H5*        U   9   6.664  11.928 -10.305
   92    H4*    U   9           H4*        U   9   4.995  12.638  -8.972
   93    H3*    U   9           H3*        U   9   5.588  10.217  -7.588
   94    H2*    U   9           H2*        U   9   3.634   9.007  -7.679
   95   2HO*    U   9          2HO*        U   9   1.848  11.125  -7.536
   96    H1*    U   9           H1*        U   9   1.916  10.342  -9.406
   97    H3     U   9           H3         U   9   2.147   6.984 -12.387
   98    H5     U   9           H5         U   9   5.887   6.931 -10.437
   99    H6     U   9           H6         U   9   5.180   8.929  -9.248
  100   1H5*    C  10          1H5*        C  10   4.047  11.741  -3.069
  101   2H5*    C  10          2H5*        C  10   3.520  11.620  -4.762
  102    H4*    C  10           H4*        C  10   3.876  14.100  -3.062
  103    H3*    C  10           H3*        C  10   1.640  12.754  -4.600
  104    H2*    C  10           H2*        C  10   0.750  14.830  -5.230
  105   2HO*    C  10          2HO*        C  10   2.048  15.692  -2.887
  106    H1*    C  10           H1*        C  10   3.127  16.256  -5.482
  107   1H4     C  10          1H4         C  10   1.655  13.263 -11.188
  108   2H4     C  10          2H4         C  10   0.925  14.848 -11.298
  109    H5     C  10           H5         C  10   2.746  12.448  -9.191
  110    H6     C  10           H6         C  10   3.389  12.988  -6.897
  111   1H5*    C  11          1H5*        C  11  -0.376  14.086  -1.198
  112   2H5*    C  11          2H5*        C  11   0.179  13.540   0.404
  113    H4*    C  11           H4*        C  11  -1.902  12.001   0.380
  114    H3*    C  11           H3*        C  11  -2.115  12.994  -2.252
  115    H2*    C  11           H2*        C  11  -3.305  14.912  -2.135
  116   2HO*    C  11          2HO*        C  11  -4.970  14.260  -0.009
  117    H1*    C  11           H1*        C  11  -3.485  15.666   0.499
  118   1H4     C  11          1H4         C  11   1.793  18.423  -2.296
  119   2H4     C  11          2H4         C  11   2.544  17.919  -0.798
  120    H5     C  11           H5         C  11  -0.437  17.768  -2.931
  121    H6     C  11           H6         C  11  -2.442  16.625  -2.257
  122   1H5*    C  12          1H5*        C  12  -2.943  13.156  -5.093
  123   2H5*    C  12          2H5*        C  12  -3.721  13.925  -3.726
  124    H4*    C  12           H4*        C  12  -5.230  12.582  -5.937
  125    H3*    C  12           H3*        C  12  -3.991  15.166  -6.011
  126    H2*    C  12           H2*        C  12  -5.614  16.521  -5.158
  127   2HO*    C  12          2HO*        C  12  -7.841  16.048  -6.261
  128    H1*    C  12           H1*        C  12  -7.816  14.712  -4.823
  129   1H4     C  12          1H4         C  12  -5.495  17.486   0.778
  130   2H4     C  12          2H4         C  12  -7.221  17.303   0.999
  131    H5     C  12           H5         C  12  -4.326  16.758  -1.213
  132    H6     C  12           H6         C  12  -4.605  15.846  -3.446
  133   1H5*    G  13          1H5*        G  13  -7.935  11.992 -10.224
  134   2H5*    G  13          2H5*        G  13  -8.019  11.698  -8.468
  135    H4*    G  13           H4*        G  13  -7.129   9.793 -10.199
  136    H3*    G  13           H3*        G  13  -7.305   9.754  -7.588
  137    H2*    G  13           H2*        G  13  -5.870  11.667  -7.348
  138   2HO*    G  13          2HO*        G  13  -3.995  10.816  -6.233
  139    H1*    G  13           H1*        G  13  -3.606  10.315  -8.743
  140    H8     G  13           H8         G  13  -3.410  12.819  -6.904
  141    H1     G  13           H1         G  13  -3.377  15.639 -12.611
  142   1H2     G  13          1H2         G  13  -4.890  12.703 -13.721
  143   2H2     G  13          2H2         G  13  -4.287  14.295 -14.122
  144   1H5*    A  14          1H5*        A  14  -5.562   8.343 -10.888
  145   2H5*    A  14          2H5*        A  14  -6.003   6.966 -11.917
  146    H4*    A  14           H4*        A  14  -3.771   7.204 -12.484
  147    H3*    A  14           H3*        A  14  -4.247   5.143 -10.444
  148    H2*    A  14           H2*        A  14  -2.312   5.403  -9.222
  149   2HO*    A  14          2HO*        A  14  -0.453   5.910 -11.089
  150    H1*    A  14           H1*        A  14  -1.078   7.606 -10.626
  151    H8     A  14           H8         A  14  -3.837   8.258  -8.089
  152   1H6     A  14          1H6         A  14  -1.094   8.883  -4.164
  153   2H6     A  14          2H6         A  14   0.614   8.666  -3.851
  154    H2     A  14           H2         A  14   2.467   7.224  -7.685
  155   1H5*    A  15          1H5*        A  15  -2.995   2.467 -10.428
  156   2H5*    A  15          2H5*        A  15  -3.879   1.274 -11.400
  157    H4*    A  15           H4*        A  15  -5.434   0.860  -9.733
  158    H3*    A  15           H3*        A  15  -5.811   3.521  -9.435
  159    H2*    A  15           H2*        A  15  -3.648   3.938  -8.434
  160   2HO*    A  15          2HO*        A  15  -4.872   3.414  -5.987
  161    H1*    A  15           H1*        A  15  -4.088   1.631  -6.548
  162    H8     A  15           H8         A  15  -1.345   2.797  -9.061
  163   1H6     A  15          1H6         A  15   2.406   2.490  -6.031
  164   2H6     A  15          2H6         A  15   2.534   2.163  -4.317
  165    H2     A  15           H2         A  15  -1.636   1.432  -2.812
  166   1H5*    G  16          1H5*        G  16  -8.895   0.518  -7.589
  167   2H5*    G  16          2H5*        G  16  -8.974   0.100  -5.866
  168    H4*    G  16           H4*        G  16  -6.384   0.581  -7.392
  169    H3*    G  16           H3*        G  16  -8.079  -1.681  -7.612
  170    H2*    G  16           H2*        G  16  -7.645  -2.508  -5.424
  171   2HO*    G  16          2HO*        G  16  -6.696  -4.213  -6.294
  172    H1*    G  16           H1*        G  16  -4.831  -1.400  -5.634
  173    H8     G  16           H8         G  16  -7.861  -1.866  -3.264
  174    H1     G  16           H1         G  16  -2.148  -2.392  -0.472
  175   1H2     G  16          1H2         G  16  -0.884  -1.659  -3.632
  176   2H2     G  16          2H2         G  16  -0.547  -2.008  -1.951
  177   1H5*    U  17          1H5*        U  17  -5.637  -2.301 -11.817
  178   2H5*    U  17          2H5*        U  17  -4.446  -3.615 -11.847
  179    H4*    U  17           H4*        U  17  -3.878  -1.231 -12.869
  180    H3*    U  17           H3*        U  17  -2.116  -3.113 -11.272
  181    H2*    U  17           H2*        U  17  -0.345  -1.547 -11.362
  182   2HO*    U  17          2HO*        U  17  -0.155  -0.066 -12.941
  183    H1*    U  17           H1*        U  17  -1.831   0.739 -11.003
  184    H3     U  17           H3         U  17   1.107  -0.607  -7.636
  185    H5     U  17           H5         U  17  -2.824  -1.464  -6.426
  186    H6     U  17           H6         U  17  -3.545  -1.044  -8.710
  187   1H5*    A  18          1H5*        A  18   0.693  -1.743 -13.307
  188   2H5*    A  18          2H5*        A  18   1.185  -2.914 -14.547
  189    H4*    A  18           H4*        A  18   3.210  -2.285 -13.490
  190    H3*    A  18           H3*        A  18   2.104  -4.908 -12.440
  191    H2*    A  18           H2*        A  18   3.886  -5.068 -10.917
  192   2HO*    A  18          2HO*        A  18   5.199  -3.663 -12.917
  193    H1*    A  18           H1*        A  18   4.287  -2.322 -10.468
  194    H8     A  18           H8         A  18   0.702  -3.165  -9.894
  195   1H6     A  18          1H6         A  18   0.925  -4.545  -5.274
  196   2H6     A  18          2H6         A  18   2.254  -4.948  -4.210
  197    H2     A  18           H2         A  18   6.015  -4.484  -6.578
  198   1H5*    G  19          1H5*        G  19   7.772  -6.462 -13.283
  199   2H5*    G  19          2H5*        G  19   6.429  -7.616 -13.168
  200    H4*    G  19           H4*        G  19   7.769  -6.027 -11.032
  201    H3*    G  19           H3*        G  19   6.372  -8.726 -11.283
  202    H2*    G  19           H2*        G  19   6.100  -8.717  -8.952
  203   2HO*    G  19          2HO*        G  19   7.535  -6.529  -8.223
  204    H1*    G  19           H1*        G  19   5.760  -5.957  -8.653
  205    H8     G  19           H8         G  19   3.383  -7.177 -11.259
  206    H1     G  19           H1         G  19   1.324  -8.164  -5.310
  207   1H2     G  19          1H2         G  19   4.630  -7.484  -4.408
  208   2H2     G  19          2H2         G  19   3.013  -7.893  -3.881
  209   1H5*    G  20          1H5*        G  20   8.617  -8.670  -8.230
  210   2H5*    G  20          2H5*        G  20   9.778  -9.980  -7.939
  211    H4*    G  20           H4*        G  20   8.457  -9.883  -5.966
  212    H3*    G  20           H3*        G  20   7.729 -12.096  -7.879
  213    H2*    G  20           H2*        G  20   5.689 -12.440  -6.881
  214   2HO*    G  20          2HO*        G  20   6.574 -13.463  -5.113
  215    H1*    G  20           H1*        G  20   5.888 -10.150  -5.010
  216    H8     G  20           H8         G  20   4.451  -9.851  -8.524
  217    H1     G  20           H1         G  20   0.088 -11.334  -4.106
  218   1H2     G  20          1H2         G  20   2.815 -11.619  -1.959
  219   2H2     G  20          2H2         G  20   1.078 -11.696  -2.158
  220   1H5*    C  21          1H5*        C  21   8.010 -16.177  -4.968
  221   2H5*    C  21          2H5*        C  21   6.405 -16.211  -5.723
  222    H4*    C  21           H4*        C  21   7.199 -15.457  -2.942
  223    H3*    C  21           H3*        C  21   4.895 -16.864  -4.326
  224    H2*    C  21           H2*        C  21   3.497 -16.349  -2.426
  225   2HO*    C  21          2HO*        C  21   4.299 -15.934  -0.508
  226    H1*    C  21           H1*        C  21   4.140 -13.765  -2.336
  227   1H4     C  21          1H4         C  21   0.671 -13.562  -7.794
  228   2H4     C  21          2H4         C  21  -0.534 -13.962  -6.591
  229    H5     C  21           H5         C  21   3.040 -13.552  -7.327
  230    H6     C  21           H6         C  21   4.753 -13.944  -5.651
  231   1H5*    C  22          1H5*        C  22   4.205 -19.752   0.050
  232   2H5*    C  22          2H5*        C  22   4.365 -19.678  -1.715
  233    H4*    C  22           H4*        C  22   2.096 -18.634   0.008
  234    H3*    C  22           H3*        C  22   2.484 -20.728  -2.125
  235    H2*    C  22           H2*        C  22   0.645 -20.069  -3.289
  236   2HO*    C  22          2HO*        C  22  -0.663 -20.860  -1.505
  237    H1*    C  22           H1*        C  22   0.178 -17.603  -1.729
  238   1H4     C  22          1H4         C  22   0.892 -15.987  -8.077
  239   2H4     C  22          2H4         C  22  -0.826 -16.268  -7.904
  240    H5     C  22           H5         C  22   2.485 -16.411  -6.313
  241    H6     C  22           H6         C  22   2.779 -17.249  -4.056
  242    H3T    C  22           H3T        C  22   1.865 -21.806  -0.417
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1 -11.303 -19.302  -8.574
    2   2H5*    G   1          2H5*        G   1 -10.019 -19.382  -9.798
    3    H4*    G   1           H4*        G   1  -9.397 -20.636  -7.169
    4    H3*    G   1           H3*        G   1 -10.135 -17.739  -7.448
    5    H2*    G   1           H2*        G   1  -8.012 -17.014  -6.955
    6   2HO*    G   1          2HO*        G   1  -7.135 -18.588  -5.015
    7    H1*    G   1           H1*        G   1  -6.877 -19.754  -6.626
    8    H8     G   1           H8         G   1  -6.889 -17.502  -9.732
    9    H1     G   1           H1         G   1  -1.389 -17.487  -6.507
   10   1H2     G   1          1H2         G   1  -3.142 -19.362  -4.146
   11   2H2     G   1          2H2         G   1  -1.629 -18.628  -4.618
   12    H5T    G   1           H5T        G   1 -11.524 -21.412  -8.631
   13   1H5*    G   2          1H5*        G   2 -10.374 -15.712  -3.193
   14   2H5*    G   2          2H5*        G   2  -9.322 -16.472  -4.402
   15    H4*    G   2           H4*        G   2  -9.282 -17.523  -1.582
   16    H3*    G   2           H3*        G   2  -8.268 -14.828  -2.500
   17    H2*    G   2           H2*        G   2  -6.187 -15.164  -1.430
   18   2HO*    G   2          2HO*        G   2  -7.543 -16.256   0.421
   19    H1*    G   2           H1*        G   2  -5.809 -17.792  -2.023
   20    H8     G   2           H8         G   2  -7.282 -16.166  -5.070
   21    H1     G   2           H1         G   2  -1.059 -14.934  -4.413
   22   1H2     G   2          1H2         G   2  -1.417 -16.302  -1.236
   23   2H2     G   2          2H2         G   2  -0.357 -15.566  -2.418
   24   1H5*    C   3          1H5*        C   3  -6.191 -14.387   2.399
   25   2H5*    C   3          2H5*        C   3  -6.714 -12.791   1.824
   26    H4*    C   3           H4*        C   3  -4.086 -13.967   1.723
   27    H3*    C   3           H3*        C   3  -5.366 -11.314   1.046
   28    H2*    C   3           H2*        C   3  -3.872 -10.910  -0.650
   29   2HO*    C   3          2HO*        C   3  -1.586 -12.057   0.207
   30    H1*    C   3           H1*        C   3  -2.553 -13.567  -0.524
   31   1H4     C   3          1H4         C   3  -4.491 -12.317  -6.712
   32   2H4     C   3          2H4         C   3  -2.805 -11.849  -6.664
   33    H5     C   3           H5         C   3  -5.732 -12.981  -4.748
   34    H6     C   3           H6         C   3  -5.625 -13.304  -2.329
   35   1H5*    C   4          1H5*        C   4  -0.159 -11.957   1.246
   36   2H5*    C   4          2H5*        C   4   0.640 -11.590   2.787
   37    H4*    C   4           H4*        C   4   1.392  -9.676   1.883
   38    H3*    C   4           H3*        C   4  -1.578  -9.145   1.963
   39    H2*    C   4           H2*        C   4  -1.528  -7.622   0.270
   40   2HO*    C   4          2HO*        C   4   1.102  -6.871   1.029
   41    H1*    C   4           H1*        C   4   1.159  -8.162  -0.720
   42   1H4     C   4          1H4         C   4  -3.768  -9.063  -5.050
   43   2H4     C   4          2H4         C   4  -2.345  -8.618  -5.971
   44    H5     C   4           H5         C   4  -3.737  -9.356  -2.632
   45    H6     C   4           H6         C   4  -2.351  -9.355  -0.649
   46   1H5*    G   5          1H5*        G   5   3.382  -6.115   1.925
   47   2H5*    G   5          2H5*        G   5   2.853  -4.592   2.662
   48    H4*    G   5           H4*        G   5   3.401  -4.628   0.113
   49    H3*    G   5           H3*        G   5   0.868  -3.430   1.313
   50    H2*    G   5           H2*        G   5   0.314  -2.691  -0.844
   51   2HO*    G   5          2HO*        G   5   2.779  -3.224  -2.040
   52    H1*    G   5           H1*        G   5   1.580  -4.810  -2.259
   53    H8     G   5           H8         G   5  -1.109  -5.494   0.404
   54    H1     G   5           H1         G   5  -3.511  -4.362  -5.382
   55   1H2     G   5          1H2         G   5  -0.214  -3.706  -6.292
   56   2H2     G   5          2H2         G   5  -1.894  -3.784  -6.777
   57   1H5*    A   6          1H5*        A   6   3.590   1.529  -0.272
   58   2H5*    A   6          2H5*        A   6   2.419   0.278  -0.741
   59    H4*    A   6           H4*        A   6   5.051  -0.903  -0.396
   60    H3*    A   6           H3*        A   6   4.850   1.625  -2.035
   61    H2*    A   6           H2*        A   6   5.937   0.639  -3.852
   62   2HO*    A   6          2HO*        A   6   6.990  -1.589  -3.284
   63    H1*    A   6           H1*        A   6   5.113  -2.008  -3.458
   64    H8     A   6           H8         A   6   1.900  -0.667  -3.790
   65   1H6     A   6          1H6         A   6   1.764   0.449  -8.506
   66   2H6     A   6          2H6         A   6   3.015   0.721  -9.699
   67    H2     A   6           H2         A   6   6.955   0.214  -7.579
   68   1H5*    A   7          1H5*        A   7  10.214   1.401  -1.734
   69   2H5*    A   7          2H5*        A   7   8.583   2.053  -1.495
   70    H4*    A   7           H4*        A   7   9.740   0.913  -4.063
   71    H3*    A   7           H3*        A   7   9.296   3.664  -2.981
   72    H2*    A   7           H2*        A   7   7.768   4.185  -4.477
   73   2HO*    A   7          2HO*        A   7  10.047   3.859  -5.949
   74    H1*    A   7           H1*        A   7   8.089   1.707  -6.096
   75    H8     A   7           H8         A   7   5.453   2.906  -3.626
   76   1H6     A   7          1H6         A   7   1.751   3.567  -6.671
   77   2H6     A   7          2H6         A   7   1.656   3.605  -8.414
   78    H2     A   7           H2         A   7   5.751   2.836  -9.979
   79   1H5*    A   8          1H5*        A   8   9.175   0.942  -8.003
   80   2H5*    A   8          2H5*        A   8  10.928   1.192  -8.008
   81    H4*    A   8           H4*        A   8   9.994   2.494  -9.814
   82    H3*    A   8           H3*        A   8  11.193   3.836  -7.451
   83    H2*    A   8           H2*        A   8   9.780   5.595  -7.391
   84   2HO*    A   8          2HO*        A   8  10.655   5.872 -10.088
   85    H1*    A   8           H1*        A   8   8.447   5.034  -9.970
   86    H8     A   8           H8         A   8   8.004   5.048  -6.210
   87   1H6     A   8          1H6         A   8   4.519   8.388  -5.962
   88   2H6     A   8          2H6         A   8   3.575   9.210  -7.184
   89    H2     A   8           H2         A   8   4.966   7.652 -11.167
   90   1H5*    U   9          1H5*        U   9   9.767   2.751 -12.867
   91   2H5*    U   9          2H5*        U   9  11.151   3.574 -13.612
   92    H4*    U   9           H4*        U   9   9.854   5.208 -14.490
   93    H3*    U   9           H3*        U   9   9.226   5.674 -11.797
   94    H2*    U   9           H2*        U   9   7.017   4.984 -11.531
   95   2HO*    U   9          2HO*        U   9   5.469   5.832 -13.123
   96    H1*    U   9           H1*        U   9   6.200   4.047 -14.008
   97    H3     U   9           H3         U   9   5.664  -0.227 -12.767
   98    H5     U   9           H5         U   9   8.081   1.425  -9.739
   99    H6     U   9           H6         U   9   8.288   3.409 -11.084
  100   1H5*    C  10          1H5*        C  10   6.058   7.638 -13.247
  101   2H5*    C  10          2H5*        C  10   5.182   8.269 -14.658
  102    H4*    C  10           H4*        C  10   4.859  10.229 -13.608
  103    H3*    C  10           H3*        C  10   7.862  10.170 -13.638
  104    H2*    C  10           H2*        C  10   8.100  11.552 -11.795
  105   2HO*    C  10          2HO*        C  10   7.075  13.380 -11.893
  106    H1*    C  10           H1*        C  10   5.654  11.081 -10.478
  107   1H4     C  10          1H4         C  10  10.455   7.345  -7.906
  108   2H4     C  10          2H4         C  10  10.389   8.777  -6.902
  109    H5     C  10           H5         C  10   9.155   7.090  -9.925
  110    H6     C  10           H6         C  10   7.468   8.127 -11.372
  111   1H5*    C  11          1H5*        C  11   2.740  11.792 -12.013
  112   2H5*    C  11          2H5*        C  11   2.738  12.985 -13.322
  113    H4*    C  11           H4*        C  11   4.581  13.246 -10.932
  114    H3*    C  11           H3*        C  11   1.643  13.579 -10.972
  115    H2*    C  11           H2*        C  11   1.529  15.875 -10.663
  116   2HO*    C  11          2HO*        C  11   2.895  15.821  -8.794
  117    H1*    C  11           H1*        C  11   3.699  16.806 -11.978
  118   1H4     C  11          1H4         C  11  -1.224  16.190 -16.227
  119   2H4     C  11          2H4         C  11  -0.065  15.248 -17.137
  120    H5     C  11           H5         C  11  -0.844  16.891 -13.952
  121    H6     C  11           H6         C  11   0.761  17.023 -12.141
  122   1H5*    C  12          1H5*        C  12  -0.406  13.758  -8.926
  123   2H5*    C  12          2H5*        C  12   0.970  14.883  -8.800
  124    H4*    C  12           H4*        C  12   0.103  15.113  -6.281
  125    H3*    C  12           H3*        C  12  -1.953  13.546  -7.464
  126    H2*    C  12           H2*        C  12  -3.484  15.065  -8.185
  127   2HO*    C  12          2HO*        C  12  -3.098  16.137  -5.577
  128    H1*    C  12           H1*        C  12  -2.387  17.549  -7.478
  129   1H4     C  12          1H4         C  12  -2.550  16.441 -14.014
  130   2H4     C  12          2H4         C  12  -3.876  17.537 -13.693
  131    H5     C  12           H5         C  12  -1.165  15.493 -12.245
  132    H6     C  12           H6         C  12  -0.653  15.573  -9.928
  133   1H5*    G  13          1H5*        G  13  -4.027  13.041  -7.577
  134   2H5*    G  13          2H5*        G  13  -5.255  12.302  -6.520
  135    H4*    G  13           H4*        G  13  -4.585  10.071  -7.094
  136    H3*    G  13           H3*        G  13  -2.030  10.893  -7.103
  137    H2*    G  13           H2*        G  13  -1.910  12.260  -8.991
  138   2HO*    G  13          2HO*        G  13  -0.793  11.129 -10.350
  139    H1*    G  13           H1*        G  13  -3.769  11.075 -10.805
  140    H8     G  13           H8         G  13  -2.293  13.770 -10.808
  141    H1     G  13           H1         G  13  -8.111  15.740  -9.117
  142   1H2     G  13          1H2         G  13  -8.617  12.430  -8.159
  143   2H2     G  13          2H2         G  13  -9.280  14.042  -8.307
  144   1H5*    A  14          1H5*        A  14  -3.240   9.621 -12.516
  145   2H5*    A  14          2H5*        A  14  -4.357   8.449 -11.788
  146    H4*    A  14           H4*        A  14  -2.993   7.525 -13.693
  147    H3*    A  14           H3*        A  14  -3.330   6.387 -11.004
  148    H2*    A  14           H2*        A  14  -1.360   5.179 -10.835
  149   2HO*    A  14          2HO*        A  14  -1.167   3.752 -12.370
  150    H1*    A  14           H1*        A  14   0.333   6.392 -12.641
  151    H8     A  14           H8         A  14  -1.166   8.890 -10.223
  152   1H6     A  14          1H6         A  14   1.692   8.124  -6.420
  153   2H6     A  14          2H6         A  14   3.004   7.009  -6.111
  154    H2     A  14           H2         A  14   3.444   4.465  -9.805
  155   1H5*    A  15          1H5*        A  15  -3.779   4.666 -10.010
  156   2H5*    A  15          2H5*        A  15  -2.966   3.113 -10.159
  157    H4*    A  15           H4*        A  15  -5.567   2.362  -9.585
  158    H3*    A  15           H3*        A  15  -5.867   4.964  -9.035
  159    H2*    A  15           H2*        A  15  -3.743   5.234  -7.904
  160   2HO*    A  15          2HO*        A  15  -5.438   4.532  -5.719
  161    H1*    A  15           H1*        A  15  -4.305   2.841  -6.182
  162    H8     A  15           H8         A  15  -1.470   3.647  -8.731
  163   1H6     A  15          1H6         A  15   2.211   3.271  -5.580
  164   2H6     A  15          2H6         A  15   2.273   3.076  -3.845
  165    H2     A  15           H2         A  15  -1.957   2.856  -2.379
  166   1H5*    G  16          1H5*        G  16  -9.308   1.108  -6.017
  167   2H5*    G  16          2H5*        G  16  -8.294   2.544  -5.764
  168    H4*    G  16           H4*        G  16  -6.394   1.110  -6.817
  169    H3*    G  16           H3*        G  16  -8.564  -0.846  -6.815
  170    H2*    G  16           H2*        G  16  -8.006  -1.730  -4.710
  171   2HO*    G  16          2HO*        G  16  -5.902  -2.984  -4.923
  172    H1*    G  16           H1*        G  16  -5.207  -0.614  -5.007
  173    H8     G  16           H8         G  16  -8.196  -0.971  -2.581
  174    H1     G  16           H1         G  16  -2.441  -1.463   0.136
  175   1H2     G  16          1H2         G  16  -1.227  -0.810  -3.062
  176   2H2     G  16          2H2         G  16  -0.863  -1.146  -1.384
  177   1H5*    U  17          1H5*        U  17  -4.775  -3.251 -10.355
  178   2H5*    U  17          2H5*        U  17  -4.416  -2.205  -8.967
  179    H4*    U  17           H4*        U  17  -4.326  -1.293 -11.869
  180    H3*    U  17           H3*        U  17  -2.243  -2.548 -10.082
  181    H2*    U  17           H2*        U  17  -0.625  -0.914 -10.637
  182   2HO*    U  17          2HO*        U  17  -2.383   0.097 -12.648
  183    H1*    U  17           H1*        U  17  -2.180   1.288 -10.514
  184    H3     U  17           H3         U  17   0.756   0.230  -6.990
  185    H5     U  17           H5         U  17  -3.196  -0.373  -5.702
  186    H6     U  17           H6         U  17  -3.914  -0.121  -8.006
  187   1H5*    A  18          1H5*        A  18  -0.483  -2.138 -12.966
  188   2H5*    A  18          2H5*        A  18   0.202  -3.062 -14.319
  189    H4*    A  18           H4*        A  18   2.142  -2.153 -13.417
  190    H3*    A  18           H3*        A  18   1.558  -4.815 -12.119
  191    H2*    A  18           H2*        A  18   3.194  -4.529 -10.504
  192   2HO*    A  18          2HO*        A  18   5.123  -3.813 -10.985
  193    H1*    A  18           H1*        A  18   3.303  -1.700 -10.455
  194    H8     A  18           H8         A  18  -0.102  -2.765  -9.526
  195   1H6     A  18          1H6         A  18   0.593  -4.013  -4.908
  196   2H6     A  18          2H6         A  18   2.032  -4.263  -3.945
  197    H2     A  18           H2         A  18   5.549  -3.584  -6.656
  198   1H5*    G  19          1H5*        G  19   5.830  -6.420 -13.393
  199   2H5*    G  19          2H5*        G  19   4.252  -5.904 -12.767
  200    H4*    G  19           H4*        G  19   6.809  -5.372 -11.217
  201    H3*    G  19           H3*        G  19   5.178  -7.930 -11.415
  202    H2*    G  19           H2*        G  19   5.399  -8.239  -9.083
  203   2HO*    G  19          2HO*        G  19   7.075  -6.077  -8.598
  204    H1*    G  19           H1*        G  19   5.081  -5.620  -8.326
  205    H8     G  19           H8         G  19   2.680  -6.633 -11.092
  206    H1     G  19           H1         G  19   0.594  -8.025  -5.238
  207   1H2     G  19          1H2         G  19   3.819  -7.176  -4.220
  208   2H2     G  19          2H2         G  19   2.214  -7.698  -3.755
  209   1H5*    G  20          1H5*        G  20   7.271 -11.476  -8.978
  210   2H5*    G  20          2H5*        G  20   5.969 -10.339  -9.382
  211    H4*    G  20           H4*        G  20   7.864  -9.509  -7.223
  212    H3*    G  20           H3*        G  20   6.051 -11.922  -7.043
  213    H2*    G  20           H2*        G  20   5.225 -11.195  -4.919
  214   2HO*    G  20          2HO*        G  20   7.589  -9.656  -4.948
  215    H1*    G  20           H1*        G  20   5.002  -8.564  -5.458
  216    H8     G  20           H8         G  20   3.663  -9.408  -8.600
  217    H1     G  20           H1         G  20  -0.289 -11.468  -4.039
  218   1H2     G  20          1H2         G  20   2.462 -11.111  -1.923
  219   2H2     G  20          2H2         G  20   0.784 -11.573  -2.096
  220   1H5*    C  21          1H5*        C  21   7.567 -11.944  -4.078
  221   2H5*    C  21          2H5*        C  21   8.419 -13.030  -2.962
  222    H4*    C  21           H4*        C  21   6.237 -13.046  -2.114
  223    H3*    C  21           H3*        C  21   6.810 -15.384  -3.907
  224    H2*    C  21           H2*        C  21   4.587 -15.723  -4.372
  225   2HO*    C  21          2HO*        C  21   4.487 -15.616  -1.547
  226    H1*    C  21           H1*        C  21   3.658 -13.461  -2.661
  227   1H4     C  21          1H4         C  21   0.315 -13.041  -8.257
  228   2H4     C  21          2H4         C  21  -0.755 -13.928  -7.193
  229    H5     C  21           H5         C  21   2.577 -12.442  -7.634
  230    H6     C  21           H6         C  21   4.299 -12.621  -5.977
  231   1H5*    C  22          1H5*        C  22   5.278 -18.358   0.334
  232   2H5*    C  22          2H5*        C  22   5.681 -19.570  -0.900
  233    H4*    C  22           H4*        C  22   3.207 -19.307   0.242
  234    H3*    C  22           H3*        C  22   4.096 -20.296  -2.480
  235    H2*    C  22           H2*        C  22   1.894 -20.547  -3.144
  236   2HO*    C  22          2HO*        C  22   0.442 -20.322  -0.906
  237    H1*    C  22           H1*        C  22   0.787 -18.533  -1.443
  238   1H4     C  22          1H4         C  22   1.513 -16.099  -7.541
  239   2H4     C  22          2H4         C  22  -0.134 -16.685  -7.466
  240    H5     C  22           H5         C  22   3.113 -16.440  -5.780
  241    H6     C  22           H6         C  22   3.478 -17.384  -3.540
  242    H3T    C  22           H3T        C  22   2.753 -21.972  -0.799
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1  -9.850 -20.535  -9.679
    2   2H5*    G   1          2H5*        G   1 -11.079 -21.338  -8.681
    3    H4*    G   1           H4*        G   1 -10.366 -20.326  -6.741
    4    H3*    G   1           H3*        G   1  -9.887 -17.952  -8.518
    5    H2*    G   1           H2*        G   1  -7.856 -17.473  -7.588
    6   2HO*    G   1          2HO*        G   1  -8.094 -18.006  -4.998
    7    H1*    G   1           H1*        G   1  -7.780 -19.799  -5.752
    8    H8     G   1           H8         G   1  -6.512 -19.568  -9.354
    9    H1     G   1           H1         G   1  -1.989 -18.586  -4.971
   10   1H2     G   1          1H2         G   1  -4.618 -18.708  -2.686
   11   2H2     G   1          2H2         G   1  -2.903 -18.485  -2.952
   12    H5T    G   1           H5T        G   1 -12.040 -19.157  -8.525
   13   1H5*    G   2          1H5*        G   2 -10.727 -17.995  -2.515
   14   2H5*    G   2          2H5*        G   2 -10.891 -16.227  -2.556
   15    H4*    G   2           H4*        G   2  -8.718 -17.594  -1.542
   16    H3*    G   2           H3*        G   2  -9.212 -14.781  -2.504
   17    H2*    G   2           H2*        G   2  -7.002 -14.417  -2.977
   18   2HO*    G   2          2HO*        G   2  -5.505 -14.660  -1.401
   19    H1*    G   2           H1*        G   2  -6.091 -17.174  -2.443
   20    H8     G   2           H8         G   2  -7.425 -16.162  -5.838
   21    H1     G   2           H1         G   2  -1.159 -15.146  -5.177
   22   1H2     G   2          1H2         G   2  -1.714 -15.870  -1.819
   23   2H2     G   2          2H2         G   2  -0.571 -15.408  -3.061
   24   1H5*    C   3          1H5*        C   3  -6.418 -14.224   1.740
   25   2H5*    C   3          2H5*        C   3  -6.709 -12.473   1.742
   26    H4*    C   3           H4*        C   3  -4.253 -13.667   1.365
   27    H3*    C   3           H3*        C   3  -5.424 -10.960   0.799
   28    H2*    C   3           H2*        C   3  -3.987 -10.546  -0.948
   29   2HO*    C   3          2HO*        C   3  -2.381 -10.532   0.985
   30    H1*    C   3           H1*        C   3  -2.649 -13.200  -0.867
   31   1H4     C   3          1H4         C   3  -4.605 -11.706  -7.012
   32   2H4     C   3          2H4         C   3  -2.879 -11.417  -6.989
   33    H5     C   3           H5         C   3  -5.871 -12.305  -5.046
   34    H6     C   3           H6         C   3  -5.757 -12.710  -2.633
   35   1H5*    C   4          1H5*        C   4  -0.053 -11.967   1.072
   36   2H5*    C   4          2H5*        C   4   0.603 -11.491   2.651
   37    H4*    C   4           H4*        C   4   1.528  -9.724   1.613
   38    H3*    C   4           H3*        C   4  -1.413  -9.042   1.604
   39    H2*    C   4           H2*        C   4  -1.287  -7.651  -0.168
   40   2HO*    C   4          2HO*        C   4   0.435  -6.521   1.400
   41    H1*    C   4           H1*        C   4   1.432  -8.311  -1.037
   42   1H4     C   4          1H4         C   4  -3.404  -9.282  -5.462
   43   2H4     C   4          2H4         C   4  -1.983  -8.793  -6.358
   44    H5     C   4           H5         C   4  -3.424  -9.526  -3.047
   45    H6     C   4           H6         C   4  -2.084  -9.467  -1.033
   46   1H5*    G   5          1H5*        G   5   3.338  -5.384   1.901
   47   2H5*    G   5          2H5*        G   5   1.595  -5.102   1.737
   48    H4*    G   5           H4*        G   5   3.701  -5.345  -0.405
   49    H3*    G   5           H3*        G   5   1.390  -3.485   0.268
   50    H2*    G   5           H2*        G   5   1.216  -2.928  -2.019
   51   2HO*    G   5          2HO*        G   5   3.039  -2.611  -3.037
   52    H1*    G   5           H1*        G   5   1.827  -5.447  -3.053
   53    H8     G   5           H8         G   5  -0.752  -5.533  -0.265
   54    H1     G   5           H1         G   5  -3.255  -3.984  -5.914
   55   1H2     G   5          1H2         G   5   0.057  -3.771  -6.980
   56   2H2     G   5          2H2         G   5  -1.638  -3.619  -7.388
   57   1H5*    A   6          1H5*        A   6   3.113   0.453  -1.750
   58   2H5*    A   6          2H5*        A   6   2.744  -1.278  -1.619
   59    H4*    A   6           H4*        A   6   5.512  -1.193  -1.306
   60    H3*    A   6           H3*        A   6   4.597   0.949  -3.268
   61    H2*    A   6           H2*        A   6   6.447   0.353  -4.654
   62   2HO*    A   6          2HO*        A   6   8.205  -0.068  -3.516
   63    H1*    A   6           H1*        A   6   6.118  -2.345  -4.442
   64    H8     A   6           H8         A   6   2.628  -1.377  -4.678
   65   1H6     A   6          1H6         A   6   2.268   0.074  -9.274
   66   2H6     A   6          2H6         A   6   3.454   0.432 -10.510
   67    H2     A   6           H2         A   6   7.500  -0.177  -8.651
   68   1H5*    A   7          1H5*        A   7   9.329   2.894  -1.905
   69   2H5*    A   7          2H5*        A   7   7.682   2.686  -2.529
   70    H4*    A   7           H4*        A   7  10.232   1.831  -3.956
   71    H3*    A   7           H3*        A   7   8.417   4.257  -4.203
   72    H2*    A   7           H2*        A   7   8.711   4.204  -6.553
   73   2HO*    A   7          2HO*        A   7  11.121   3.115  -5.832
   74    H1*    A   7           H1*        A   7   8.761   1.446  -6.859
   75    H8     A   7           H8         A   7   5.883   2.407  -4.641
   76   1H6     A   7          1H6         A   7   2.548   3.212  -8.034
   77   2H6     A   7          2H6         A   7   2.636   3.446  -9.766
   78    H2     A   7           H2         A   7   6.961   3.039 -10.917
   79   1H5*    A   8          1H5*        A   8  11.263   5.068  -6.776
   80   2H5*    A   8          2H5*        A   8  11.791   6.762  -6.734
   81    H4*    A   8           H4*        A   8  10.775   6.262  -8.911
   82    H3*    A   8           H3*        A   8   9.607   8.245  -7.026
   83    H2*    A   8           H2*        A   8   7.442   8.035  -7.670
   84   2HO*    A   8          2HO*        A   8   8.595   8.062 -10.262
   85    H1*    A   8           H1*        A   8   7.584   5.922  -9.545
   86    H8     A   8           H8         A   8   7.466   5.744  -5.706
   87   1H6     A   8          1H6         A   8   2.670   5.090  -5.317
   88   2H6     A   8          2H6         A   8   1.371   5.172  -6.488
   89    H2     A   8           H2         A   8   3.284   6.109 -10.464
   90   1H5*    U   9          1H5*        U   9  10.955  12.631  -8.039
   91   2H5*    U   9          2H5*        U   9   9.754  11.936  -6.924
   92    H4*    U   9           H4*        U   9   9.733  11.919  -9.908
   93    H3*    U   9           H3*        U   9   8.074  12.981  -7.707
   94    H2*    U   9           H2*        U   9   6.115  11.926  -8.232
   95   2HO*    U   9          2HO*        U   9   5.773  11.030 -10.364
   96    H1*    U   9           H1*        U   9   6.914   9.543  -9.141
   97    H3     U   9           H3         U   9   8.957   9.804  -4.331
   98    H5     U   9           H5         U   9   4.892   9.850  -5.127
   99    H6     U   9           H6         U   9   5.397  10.057  -7.457
  100   1H5*    C  10          1H5*        C  10   5.395  15.910 -10.653
  101   2H5*    C  10          2H5*        C  10   6.192  14.333 -10.483
  102    H4*    C  10           H4*        C  10   6.940  16.353 -12.630
  103    H3*    C  10           H3*        C  10   4.786  14.230 -12.563
  104    H2*    C  10           H2*        C  10   5.411  13.405 -14.658
  105   2HO*    C  10          2HO*        C  10   7.058  15.563 -15.362
  106    H1*    C  10           H1*        C  10   8.151  13.997 -14.585
  107   1H4     C  10          1H4         C  10   7.025   7.863 -12.375
  108   2H4     C  10          2H4         C  10   7.277   7.686 -14.096
  109    H5     C  10           H5         C  10   6.907  10.009 -11.266
  110    H6     C  10           H6         C  10   7.075  12.429 -11.577
  111   1H5*    C  11          1H5*        C  11   2.312  14.503 -13.649
  112   2H5*    C  11          2H5*        C  11   2.363  15.244 -15.260
  113    H4*    C  11           H4*        C  11  -0.057  16.026 -14.784
  114    H3*    C  11           H3*        C  11   0.536  14.524 -12.309
  115    H2*    C  11           H2*        C  11  -1.097  12.869 -12.489
  116   2HO*    C  11          2HO*        C  11  -2.604  13.502 -14.566
  117    H1*    C  11           H1*        C  11  -1.039  12.304 -15.107
  118   1H4     C  11          1H4         C  11   3.950   9.198 -12.260
  119   2H4     C  11          2H4         C  11   4.933  10.088 -13.401
  120    H5     C  11           H5         C  11   1.603   9.629 -11.927
  121    H6     C  11           H6         C  11  -0.325  10.925 -12.677
  122   1H5*    C  12          1H5*        C  12  -2.329  12.098 -10.965
  123   2H5*    C  12          2H5*        C  12  -3.550  13.359 -10.743
  124    H4*    C  12           H4*        C  12  -3.384  12.434  -8.627
  125    H3*    C  12           H3*        C  12  -2.119  14.983  -8.971
  126    H2*    C  12           H2*        C  12  -0.096  14.647  -8.041
  127   2HO*    C  12          2HO*        C  12  -0.361  13.597  -5.716
  128    H1*    C  12           H1*        C  12  -0.374  12.011  -6.893
  129   1H4     C  12          1H4         C  12   4.499  13.049 -11.271
  130   2H4     C  12          2H4         C  12   5.262  12.394  -9.843
  131    H5     C  12           H5         C  12   2.146  13.478 -11.421
  132    H6     C  12           H6         C  12   0.011  13.324 -10.294
  133   1H5*    G  13          1H5*        G  13  -5.496  12.794  -3.684
  134   2H5*    G  13          2H5*        G  13  -4.049  11.860  -4.122
  135    H4*    G  13           H4*        G  13  -6.304  10.586  -4.219
  136    H3*    G  13           H3*        G  13  -4.106   9.992  -5.536
  137    H2*    G  13           H2*        G  13  -4.140  11.879  -6.960
  138   2HO*    G  13          2HO*        G  13  -4.505  11.095  -9.043
  139    H1*    G  13           H1*        G  13  -6.904  11.508  -7.959
  140    H8     G  13           H8         G  13  -4.850  13.487  -9.076
  141    H1     G  13           H1         G  13  -7.781  17.431  -5.016
  142   1H2     G  13          1H2         G  13  -8.915  14.509  -3.492
  143   2H2     G  13          2H2         G  13  -8.880  16.258  -3.487
  144   1H5*    A  14          1H5*        A  14  -5.288   9.283  -9.622
  145   2H5*    A  14          2H5*        A  14  -5.707   7.567  -9.450
  146    H4*    A  14           H4*        A  14  -4.317   8.048 -11.469
  147    H3*    A  14           H3*        A  14  -4.082   5.924  -9.706
  148    H2*    A  14           H2*        A  14  -2.122   6.383  -8.588
  149   2HO*    A  14          2HO*        A  14  -1.432   5.473 -11.126
  150    H1*    A  14           H1*        A  14  -0.751   8.100 -10.508
  151    H8     A  14           H8         A  14  -3.071   9.360  -7.775
  152   1H6     A  14          1H6         A  14   0.236  10.235  -4.350
  153   2H6     A  14          2H6         A  14   1.946   9.889  -4.227
  154    H2     A  14           H2         A  14   3.130   7.807  -8.038
  155   1H5*    A  15          1H5*        A  15  -2.859   3.254  -9.961
  156   2H5*    A  15          2H5*        A  15  -3.907   2.145 -10.873
  157    H4*    A  15           H4*        A  15  -5.285   1.735  -9.060
  158    H3*    A  15           H3*        A  15  -5.494   4.405  -8.666
  159    H2*    A  15           H2*        A  15  -3.236   4.686  -7.853
  160   2HO*    A  15          2HO*        A  15  -3.818   4.336  -5.302
  161    H1*    A  15           H1*        A  15  -3.615   2.327  -6.010
  162    H8     A  15           H8         A  15  -1.054   3.459  -8.723
  163   1H6     A  15          1H6         A  15   2.932   2.886  -6.062
  164   2H6     A  15          2H6         A  15   3.201   2.500  -4.377
  165    H2     A  15           H2         A  15  -0.845   1.932  -2.509
  166   1H5*    G  16          1H5*        G  16  -8.643   1.897  -6.868
  167   2H5*    G  16          2H5*        G  16  -8.775   1.091  -5.292
  168    H4*    G  16           H4*        G  16  -6.262   1.346  -6.984
  169    H3*    G  16           H3*        G  16  -8.369  -0.569  -7.100
  170    H2*    G  16           H2*        G  16  -7.747  -1.788  -5.190
  171   2HO*    G  16          2HO*        G  16  -5.482  -2.842  -6.251
  172    H1*    G  16           H1*        G  16  -4.843  -1.025  -5.558
  173    H8     G  16           H8         G  16  -7.770  -1.439  -3.063
  174    H1     G  16           H1         G  16  -1.993  -2.454  -0.566
  175   1H2     G  16          1H2         G  16  -0.810  -1.528  -3.712
  176   2H2     G  16          2H2         G  16  -0.427  -2.023  -2.078
  177   1H5*    U  17          1H5*        U  17  -4.755  -2.873 -11.061
  178   2H5*    U  17          2H5*        U  17  -4.328  -2.040  -9.552
  179    H4*    U  17           H4*        U  17  -4.372  -0.644 -12.249
  180    H3*    U  17           H3*        U  17  -2.271  -2.394 -10.996
  181    H2*    U  17           H2*        U  17  -0.555  -0.807 -11.308
  182   2HO*    U  17          2HO*        U  17  -2.329   0.691 -12.980
  183    H1*    U  17           H1*        U  17  -1.896   1.459 -10.676
  184    H3     U  17           H3         U  17   1.223  -0.232  -7.648
  185    H5     U  17           H5         U  17  -2.637  -0.948  -6.135
  186    H6     U  17           H6         U  17  -3.516  -0.340  -8.312
  187   1H5*    A  18          1H5*        A  18   1.019  -2.352 -15.049
  188   2H5*    A  18          2H5*        A  18   0.770  -4.020 -14.493
  189    H4*    A  18           H4*        A  18   3.029  -2.447 -14.015
  190    H3*    A  18           H3*        A  18   1.901  -4.955 -12.717
  191    H2*    A  18           H2*        A  18   3.585  -4.846 -11.096
  192   2HO*    A  18          2HO*        A  18   5.575  -4.340 -11.606
  193    H1*    A  18           H1*        A  18   3.904  -2.021 -11.118
  194    H8     A  18           H8         A  18   0.395  -2.819 -10.254
  195   1H6     A  18          1H6         A  18   0.883  -4.078  -5.612
  196   2H6     A  18          2H6         A  18   2.275  -4.401  -4.603
  197    H2     A  18           H2         A  18   5.906  -3.935  -7.203
  198   1H5*    G  19          1H5*        G  19   6.027  -7.099 -13.711
  199   2H5*    G  19          2H5*        G  19   4.539  -6.345 -13.108
  200    H4*    G  19           H4*        G  19   7.152  -5.827 -11.687
  201    H3*    G  19           H3*        G  19   5.545  -8.398 -11.683
  202    H2*    G  19           H2*        G  19   5.709  -8.540  -9.332
  203   2HO*    G  19          2HO*        G  19   7.166  -6.811  -8.306
  204    H1*    G  19           H1*        G  19   5.391  -5.890  -8.736
  205    H8     G  19           H8         G  19   3.013  -6.924 -11.494
  206    H1     G  19           H1         G  19   0.836  -8.194  -5.639
  207   1H2     G  19          1H2         G  19   4.074  -7.428  -4.601
  208   2H2     G  19          2H2         G  19   2.453  -7.903  -4.147
  209   1H5*    G  20          1H5*        G  20   8.340  -8.423  -8.379
  210   2H5*    G  20          2H5*        G  20   9.144 -10.004  -8.458
  211    H4*    G  20           H4*        G  20   7.984  -9.595  -6.276
  212    H3*    G  20           H3*        G  20   7.354 -11.889  -8.107
  213    H2*    G  20           H2*        G  20   5.310 -12.291  -7.148
  214   2HO*    G  20          2HO*        G  20   5.303 -12.071  -4.665
  215    H1*    G  20           H1*        G  20   5.379  -9.992  -5.276
  216    H8     G  20           H8         G  20   4.024  -9.734  -8.805
  217    H1     G  20           H1         G  20  -0.407 -11.403  -4.527
  218   1H2     G  20          1H2         G  20   2.268 -11.634  -2.310
  219   2H2     G  20          2H2         G  20   0.547 -11.806  -2.569
  220   1H5*    C  21          1H5*        C  21   8.347 -14.330  -2.411
  221   2H5*    C  21          2H5*        C  21   7.741 -15.266  -3.794
  222    H4*    C  21           H4*        C  21   6.205 -13.578  -1.813
  223    H3*    C  21           H3*        C  21   6.231 -16.437  -2.736
  224    H2*    C  21           H2*        C  21   4.002 -16.403  -3.292
  225   2HO*    C  21          2HO*        C  21   3.816 -15.277  -0.688
  226    H1*    C  21           H1*        C  21   3.604 -13.563  -2.466
  227   1H4     C  21          1H4         C  21   0.615 -14.158  -8.226
  228   2H4     C  21          2H4         C  21  -0.615 -14.685  -7.098
  229    H5     C  21           H5         C  21   2.891 -13.698  -7.561
  230    H6     C  21           H6         C  21   4.480 -13.685  -5.737
  231   1H5*    C  22          1H5*        C  22   3.865 -17.943   1.911
  232   2H5*    C  22          2H5*        C  22   3.720 -19.243   0.713
  233    H4*    C  22           H4*        C  22   1.634 -17.668   1.907
  234    H3*    C  22           H3*        C  22   1.806 -19.898  -0.138
  235    H2*    C  22           H2*        C  22  -0.457 -19.595  -0.669
  236   2HO*    C  22          2HO*        C  22  -0.567 -18.678   1.929
  237    H1*    C  22           H1*        C  22  -0.480 -16.824  -0.486
  238   1H4     C  22          1H4         C  22   1.581 -18.225  -6.573
  239   2H4     C  22          2H4         C  22  -0.142 -18.518  -6.640
  240    H5     C  22           H5         C  22   2.753 -17.706  -4.537
  241    H6     C  22           H6         C  22   2.536 -17.417  -2.106
  242    H3T    C  22           H3T        C  22   1.578 -20.937   1.692